UCSF

ZINC37011229

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 1.50 1.1 -15.04 3 6 0 102 346.195 3
Hi High (pH 8-9.5) 1.57 -0.7 -42.53 2 6 -1 108 345.187 3

Activity (Go SEA)

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