UCSF

ZINC44686766

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) -0.49 1.27 -44.68 4 7 1 94 286.381 4
Hi High (pH 8-9.5) -0.49 -1.06 -11.53 3 7 0 93 285.373 4

Activity (Go SEA)

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