UCSF

ZINC53127164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 1.44 2.16 -34.67 4 4 1 66 241.355 3
Mid Mid (pH 6-8) 1.44 0.78 -5.91 3 4 0 61 240.347 3

Activity (Go SEA)

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