UCSF

ZINC34681953

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 4.61 13.94 -46.89 2 5 1 50 455.504 6
Lo Low (pH 4.5-6) 4.61 14.3 -102.09 3 5 2 51 456.512 6

Activity (Go SEA)

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