UCSF

ZINC49089997

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 25 No

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) -2.63 -2.78 -63.77 4 12 -1 178 374.27 4
Mid Mid (pH 6-8) -2.00 -3.36 -61.85 4 12 -1 175 374.27 5
Lo Low (pH 4.5-6) -2.00 -2.86 -38.32 5 12 0 176 375.278 5

Activity (Go SEA)

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