UCSF

ZINC20215586

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 16 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) -0.98 3.07 -53.79 2 5 1 55 223.3 1
Mid Mid (pH 6-8) -0.98 1.69 -10.98 1 5 0 50 222.292 1

Activity (Go SEA)

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