UCSF

ZINC38428364

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2010 22 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) 2.34 6.62 -90.41 2 4 2 15 314.562 4
Hi High (pH 8-9.5) 2.34 2.54 -1.41 0 4 0 13 312.546 4
Mid Mid (pH 6-8) 2.34 4.3 -34.55 1 4 1 14 313.554 4
Lo Low (pH 4.5-6) 2.34 8.4 -203.45 3 4 3 17 315.57 4
Lo Low (pH 4.5-6) 2.34 10.71 -332.21 4 4 4 18 316.578 4

Activity (Go SEA)

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