UCSF

ZINC04239313

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 21 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) 3.91 8.98 -11.25 0 4 0 38 279.343 3
Lo Low (pH 4.5-6) 3.91 9.35 -26.34 1 4 1 40 280.351 3

Activity (Go SEA)

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