UCSF

ZINC12377982

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2008 24 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.42 2.85 -43.03 2 6 -1 97 336.352 2
Ref Reference (pH 7) 3.91 2.91 -10.19 3 6 0 98 337.36 1
Hi High (pH 8-9.5) 4.82 -0.85 -107.91 1 6 -2 104 335.344 1
Hi High (pH 8-9.5) 4.82 -0.16 -105.87 1 6 -2 104 335.344 1
Mid Mid (pH 6-8) 4.36 1.38 -44.95 2 6 -1 101 336.352 1
Mid Mid (pH 6-8) 3.87 0.91 -104.37 1 6 -2 100 335.344 2
Mid Mid (pH 6-8) 4.36 0.96 -44.68 2 6 -1 101 336.352 1
Mid Mid (pH 6-8) 4.36 1.11 -46.82 2 6 -1 101 336.352 1
Mid Mid (pH 6-8) 4.36 1.8 -44.51 2 6 -1 101 336.352 1

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )