UCSF

ZINC12523819

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 19 Yes

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) 2.82 8.74 -34.61 4 5 1 70 256.333 0
Hi High (pH 8-9.5) 2.82 8.22 -17 3 5 0 68 255.325 0
Mid Mid (pH 6-8) 2.95 8.8 -24.28 4 5 1 67 256.333 0
Mid Mid (pH 6-8) 2.82 8.13 -9.3 3 5 0 68 255.325 0
Mid Mid (pH 6-8) 2.95 8.72 -89.8 5 5 2 69 257.341 0
Mid Mid (pH 6-8) 3.00 8.73 -17.6 3 5 0 71 255.325 0

Activity (Go SEA)

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