UCSF

ZINC01065700

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2004 22 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) -0.74 -10.12 -21.79 5 10 0 148 308.298 3
Lo Low (pH 4.5-6) -0.74 -9.97 -40.65 6 10 1 149 309.306 3

Activity (Go SEA)

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