UCSF

ZINC36988177

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 1.43 5.48 -34.15 3 3 1 34 248.394 6
Mid Mid (pH 6-8) 1.43 5.89 -36.2 3 3 1 34 248.394 6

Activity (Go SEA)

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