UCSF

ZINC13302676

Substance Information

In ZINC since Heavy atoms Benign functionality
June 16th, 2008 17 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) 0.65 9.67 -21.89 0 6 0 61 246.299 3
Mid Mid (pH 6-8) 0.65 10.13 -37.18 1 6 1 62 247.307 3

Activity (Go SEA)

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