UCSF

ZINC36932896

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 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) 2.65 4.84 -3.55 1 4 0 34 292.423 7
Mid Mid (pH 6-8) 2.65 5.59 -33.06 2 4 1 38 293.431 7
Lo Low (pH 4.5-6) 2.65 6.65 -35.34 2 4 1 35 293.431 7
Lo Low (pH 4.5-6) 2.65 7.44 -113.14 3 4 2 40 294.439 7

Activity (Go SEA)

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