UCSF

ZINC40694426

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 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) 2.53 7.23 -78.81 4 3 2 35 283.504 8
Lo Low (pH 4.5-6) 2.53 9.47 -159.3 5 3 3 37 284.512 8
Lo Low (pH 4.5-6) 2.53 7.27 -86.08 4 3 2 35 283.504 8

Activity (Go SEA)

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