UCSF

ZINC34677445

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 27 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) 0.96 0.49 -46.63 3 8 1 92 383.513 11
Mid Mid (pH 6-8) 0.96 -1.81 -10.5 2 8 0 91 382.505 11

Activity (Go SEA)

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