UCSF

ZINC40151910

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 28 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) 5.59 12.31 -11.74 0 4 0 36 370.452 3
Lo Low (pH 4.5-6) 5.59 13.08 -25.58 1 4 1 38 371.46 3

Activity (Go SEA)

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