UCSF

ZINC43413570

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 3.00 9.03 -45.22 1 5 -1 78 290.387 6
Mid Mid (pH 6-8) 3.00 9.69 -57.74 2 5 0 79 291.395 6
Lo Low (pH 4.5-6) 3.00 7.71 -34.64 3 5 1 76 292.403 6

Activity (Go SEA)

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