UCSF

ZINC12411693

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 22 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) 4.22 7.18 -53 0 4 -1 62 292.314 3
Ref Reference (pH 7) 2.75 7.51 -8.96 0 4 0 56 293.322 3
Mid Mid (pH 6-8) 4.22 6.32 -9.76 1 4 0 59 293.322 3
Mid Mid (pH 6-8) 4.22 5.88 -9.78 1 4 0 59 293.322 3

Activity (Go SEA)

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