UCSF

ZINC34676012

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 33 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) 4.24 11.38 -17.14 1 5 0 62 455.583 8
Lo Low (pH 4.5-6) 4.24 11.85 -49.99 2 5 1 64 456.591 8

Activity (Go SEA)

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