UCSF

ZINC17125979

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 25 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) 1.96 2.28 -34.93 0 8 -1 120 340.315 5
Lo Low (pH 4.5-6) 1.50 3.7 -21.87 1 8 0 117 341.323 5

Activity (Go SEA)

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