UCSF

ZINC09422260

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 29 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) 4.55 -1.22 -12.35 0 5 0 57 425.941 2
Lo Low (pH 4.5-6) 4.55 -1.18 -32.9 1 5 1 58 426.949 2

Activity (Go SEA)

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