UCSF

ZINC05737259

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 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) 1.75 5.49 -52.9 0 3 -1 53 196.251 4
Lo Low (pH 4.5-6) 1.75 5.67 -34.31 1 3 0 54 197.259 4

Activity (Go SEA)

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