UCSF

ZINC42455874

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 12 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) -1.10 -2.28 -47.29 5 4 1 74 174.268 6
Mid Mid (pH 6-8) -1.10 -0.22 -106.88 6 4 2 75 175.276 6

Activity (Go SEA)

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