UCSF

ZINC41054653

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 21 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) 5.04 8.26 -5.29 1 2 0 25 288.272 3
Mid Mid (pH 6-8) 5.04 8.7 -33.31 2 2 1 26 289.28 3

Activity (Go SEA)

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