UCSF

ZINC04478322

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 12 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) 0.97 5.96 -31.65 1 2 1 17 163.244 2
Lo Low (pH 4.5-6) 0.97 6.23 -97.13 2 2 2 19 164.252 2

Activity (Go SEA)

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