UCSF

ZINC25384334

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 30 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) 5.05 9.19 -9.54 1 5 0 58 442.654 6
Mid Mid (pH 6-8) 5.05 11.57 -40.45 2 5 1 59 443.662 6

Activity (Go SEA)

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