UCSF

ZINC09994390

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2007 37 No

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) 3.50 10.75 -47.92 0 8 -1 101 501.559 10
Mid Mid (pH 6-8) 2.92 0.52 -16.39 0 8 0 95 502.567 10
Lo Low (pH 4.5-6) 3.50 0.91 -46.55 2 8 1 99 503.575 10
Lo Low (pH 4.5-6) 2.92 0.63 -54.46 1 8 1 96 503.575 10

Activity (Go SEA)

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