UCSF

ZINC10013545

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2007 35 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) 6.80 14.33 -23.07 2 4 0 58 486.974 4
Mid Mid (pH 6-8) 6.93 -0.85 -10.16 1 4 0 58 486.974 4
Mid Mid (pH 6-8) 6.93 0.44 -23.77 1 4 0 58 486.974 4
Mid Mid (pH 6-8) 6.75 -0.52 -11.65 1 4 0 58 486.974 4

Activity (Go SEA)

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