UCSF

ZINC58202580

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 27 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) 0.83 5.5 -14.4 0 7 0 60 376.501 6
Lo Low (pH 4.5-6) 0.83 7.7 -41.54 1 7 1 61 377.509 6
Lo Low (pH 4.5-6) 0.83 7.71 -40.3 1 7 1 61 377.509 6

Activity (Go SEA)

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