UCSF

ZINC35731883

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 18 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) 1.71 8.92 -63.16 1 5 0 68 246.266 5
Mid Mid (pH 6-8) 1.71 8.44 -53.17 0 5 -1 67 245.258 5

Activity (Go SEA)

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