UCSF

ZINC37389099

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 0.55 2.61 -42.3 3 6 1 79 287.409 5
Hi High (pH 8-9.5) 0.55 0.5 -10.53 2 6 0 78 286.401 5
Hi High (pH 8-9.5) 0.55 2.2 -30.36 2 6 0 81 286.401 5

Activity (Go SEA)

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