UCSF

ZINC05740528

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 15 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) 3.33 6.64 -7.33 0 1 0 13 211.186 1
Lo Low (pH 4.5-6) 3.33 6.87 -27.01 1 1 1 14 212.194 1

Activity (Go SEA)

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