UCSF

ZINC49628920

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 18 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) 3.42 8.54 -46.27 0 3 -1 53 240.282 2
Lo Low (pH 4.5-6) 3.42 8.99 -41.66 1 3 0 54 241.29 2

Activity (Go SEA)

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