UCSF

ZINC19220356

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 24 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) 2.96 9.23 -10.59 0 5 0 51 325.412 3
Lo Low (pH 4.5-6) 2.96 9.34 -33.09 1 5 1 53 326.42 3

Activity (Go SEA)

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