UCSF

ZINC09968629

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2007 26 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) 5.74 -1.34 -9.72 3 4 0 68 491.276 3
Lo Low (pH 4.5-6) 5.74 -1.29 -34.27 4 4 1 69 492.284 3

Activity (Go SEA)

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