UCSF

ZINC34681490

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 4.30 11.87 -49.32 2 5 1 50 421.487 7
Mid Mid (pH 6-8) 4.30 9.65 -10.47 1 5 0 48 420.479 7
Mid Mid (pH 6-8) 4.30 9.98 -35.95 2 5 1 50 421.487 7
Mid Mid (pH 6-8) 4.30 12.2 -108.2 3 5 2 51 422.495 7

Activity (Go SEA)

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