UCSF

ZINC19511910

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 1.27 3.68 -96.88 5 3 2 56 185.315 3
Mid Mid (pH 6-8) -1.64 3.96 -26.15 5 3 1 56 184.307 3

Activity (Go SEA)

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