UCSF

ZINC39134260

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) -0.60 -0.03 -8.15 2 4 0 58 153.185 2
Mid Mid (pH 6-8) -0.60 0.41 -27.21 3 4 1 59 154.193 2

Activity (Go SEA)

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