UCSF

ZINC37087359

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.97 5.18 -43.78 3 4 1 55 292.79 3
Hi High (pH 8-9.5) 1.97 5.93 -31.95 2 4 0 57 291.782 3

Activity (Go SEA)

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