UCSF

ZINC34844882

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 12 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) 1.38 3 -8.71 1 2 0 29 167.183 3
Mid Mid (pH 6-8) 1.38 4.44 -47.4 2 2 1 34 168.191 3

Activity (Go SEA)

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