UCSF

ZINC20593451

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 19 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) 0.53 2.87 -76.36 1 7 0 95 288.325 3
Hi High (pH 8-9.5) 0.53 0.72 -50.74 0 7 -1 94 287.317 3

Activity (Go SEA)

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