UCSF

ZINC00665819

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 24 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) 2.21 1.88 -16.85 1 7 0 93 370.452 6
Mid Mid (pH 6-8) 2.21 1.89 -51.61 0 7 -1 95 369.444 6

Activity (Go SEA)

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