UCSF

ZINC39699638

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 27 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) -1.77 -6.84 -66.9 5 12 0 160 381.393 3
Mid Mid (pH 6-8) -1.77 -9.2 -50.76 4 12 -1 158 380.385 3
Lo Low (pH 4.5-6) -1.77 -6.85 -51.03 6 12 1 162 382.401 3

Activity (Go SEA)

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