UCSF

ZINC44114267

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 21 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) 3.23 7.28 -34.18 2 3 1 28 291.459 7
Mid Mid (pH 6-8) 3.23 5.01 -3.5 1 3 0 27 290.451 7

Activity (Go SEA)

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