UCSF

ZINC45664279

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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
Hi High (pH 8-9.5) 1.19 2.87 -29.49 3 3 1 34 216.393 9
Hi High (pH 8-9.5) 1.19 1.57 -43.83 3 3 1 34 216.393 9
Mid Mid (pH 6-8) 1.19 5.34 -100.05 4 3 2 35 217.401 9
Mid Mid (pH 6-8) 1.19 4.06 -101.93 4 3 2 35 217.401 9
Mid Mid (pH 6-8) 1.19 3.24 -108.11 4 3 2 35 217.401 9
Lo Low (pH 4.5-6) 1.19 5.73 -205.9 5 3 3 37 218.409 9

Activity (Go SEA)

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