UCSF

ZINC37050475

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.11 6.66 -85.55 4 4 2 56 233.315 6
Mid Mid (pH 6-8) 1.11 6.15 -50.91 3 4 1 55 232.307 6

Activity (Go SEA)

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