UCSF

ZINC54825095

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 13 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) 1.35 2.19 -39.53 3 3 1 61 183.275 3
Mid Mid (pH 6-8) 1.35 1.29 -8.6 2 3 0 56 182.267 3

Activity (Go SEA)

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