UCSF

ZINC52248992

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 13 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) 2.03 4.99 -45.67 1 3 -1 60 187.259 6
Lo Low (pH 4.5-6) 2.03 3.01 -6.91 2 3 0 58 188.267 6

Activity (Go SEA)

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