UCSF

ZINC09215725

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 24 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) 3.70 7.24 -15.4 1 5 0 72 317.348 2
Lo Low (pH 4.5-6) 4.15 8.19 -94.12 3 5 2 74 319.364 1

Activity (Go SEA)

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