UCSF

ZINC34677362

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 32 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) 1.62 2.79 -46.7 3 8 1 92 449.547 11
Mid Mid (pH 6-8) 1.62 0.52 -10.94 2 8 0 91 448.539 11

Activity (Go SEA)

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