UCSF

ZINC41652466

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 0.77 6.2 -9.53 2 4 0 59 267.332 3
Lo Low (pH 4.5-6) 0.77 6.65 -37.09 3 4 1 60 268.34 3

Activity (Go SEA)

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