UCSF

ZINC42456042

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 11 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) 0.46 1.36 -40.32 3 2 1 31 167.223 5
Lo Low (pH 4.5-6) 0.46 3.23 -104.12 4 2 2 32 168.231 5

Activity (Go SEA)

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