UCSF

ZINC44361084

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 39 No

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) -5.05 -9.95 -56.38 12 17 1 274 558.617 15
Hi High (pH 8-9.5) -5.05 -10.28 -21.89 11 17 0 273 557.609 15

Activity (Go SEA)

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