UCSF

ZINC34680660

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 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) 2.22 8.37 -17.95 1 8 0 88 420.469 5
Mid Mid (pH 6-8) 2.22 8.69 -46.26 2 8 1 89 421.477 5

Activity (Go SEA)

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