UCSF

ZINC37078882

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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 2.81 -46.73 3 3 1 48 185.291 2
Mid Mid (pH 6-8) 1.43 3.34 -6.44 2 3 0 46 184.283 2

Activity (Go SEA)

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