UCSF

ZINC50065225

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 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) 0.56 7.1 -42.34 1 5 1 49 262.28 8
Mid Mid (pH 6-8) 0.56 4.9 -34.84 1 5 1 49 262.28 8
Mid Mid (pH 6-8) 0.56 4.95 -12.11 0 5 0 47 261.272 8

Activity (Go SEA)

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