UCSF

ZINC19785017

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 18 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) 0.89 0.15 -7.33 1 5 0 51 251.282 3
Mid Mid (pH 6-8) 0.89 2.54 -47.25 2 5 1 52 252.29 3

Activity (Go SEA)

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