UCSF

ZINC34575112

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 26 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) 3.22 6.23 -13.06 2 6 0 81 350.374 6
Mid Mid (pH 6-8) 3.22 7.3 -56.39 1 6 -1 84 349.366 6
Mid Mid (pH 6-8) 3.22 7.76 -45.79 2 6 0 85 350.374 6
Lo Low (pH 4.5-6) 3.22 6.7 -45.82 3 6 1 82 351.382 6

Activity (Go SEA)

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