UCSF

ZINC39134259

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 11 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) -0.40 -0.59 -7.88 3 4 0 72 153.185 2
Mid Mid (pH 6-8) -0.40 -0.04 -27.58 4 4 1 73 154.193 2

Activity (Go SEA)

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