UCSF

ZINC36876729

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 0.66 4.56 -91.49 5 4 2 70 232.331 6
Mid Mid (pH 6-8) 0.66 4.11 -47.56 4 4 1 69 231.323 6

Activity (Go SEA)

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