UCSF

ZINC22781266

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 28 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) 2.86 9.54 -32.99 1 6 1 42 375.5 4
Hi High (pH 8-9.5) 2.86 9.14 -16.72 0 6 0 41 374.492 4
Mid Mid (pH 6-8) 2.86 11.92 -92.03 2 6 2 44 376.508 4
Mid Mid (pH 6-8) 2.86 9.95 -66.62 2 6 2 44 376.508 4
Mid Mid (pH 6-8) 2.86 11.84 -107.41 2 6 2 44 376.508 4
Mid Mid (pH 6-8) 2.86 12.48 -156.63 3 6 3 45 377.516 4
Mid Mid (pH 6-8) 2.86 12.46 -154.77 3 6 3 45 377.516 4
Lo Low (pH 4.5-6) 2.86 11.86 -80.89 2 6 2 44 376.508 4

Activity (Go SEA)

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