UCSF

ZINC38433939

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2010 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) 0.12 1.27 -34.26 3 4 1 67 167.188 3
Mid Mid (pH 6-8) 0.12 0.88 -6.67 2 4 0 65 166.18 3

Activity (Go SEA)

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