UCSF

ZINC37157191

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 17 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) 0.91 7.84 -77.93 3 4 2 36 238.379 5
Mid Mid (pH 6-8) 0.91 7.33 -35.81 2 4 1 34 237.371 5
Lo Low (pH 4.5-6) 0.91 8.83 -180.56 4 4 3 40 239.387 5
Lo Low (pH 4.5-6) 0.91 6.59 -100.96 3 4 2 39 238.379 5

Activity (Go SEA)

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