UCSF

ZINC37008996

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 0.73 -2.48 -15.91 3 7 0 116 308.381 6
Mid Mid (pH 6-8) 0.73 -2.29 -45.35 2 7 -1 118 307.373 6

Activity (Go SEA)

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