UCSF

ZINC14001781

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 31 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) 6.52 13.97 -43.16 2 3 1 35 410.537 8
Mid Mid (pH 6-8) 6.52 12.85 -8.35 1 3 0 30 409.529 8

Activity (Go SEA)

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