UCSF

ZINC01473066

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 23 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) 5.63 12.5 -10.57 0 2 0 18 298.389 3
Lo Low (pH 4.5-6) 5.63 13.26 -24.03 1 2 1 19 299.397 3

Activity (Go SEA)

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