UCSF

ZINC26898674

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 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
Ref Reference (pH 7) 0.62 3.18 -93.41 4 4 2 46 208.309 3
Hi High (pH 8-9.5) 0.62 1.77 -25.94 3 4 1 41 207.301 3
Mid Mid (pH 6-8) 0.62 2.84 -42.73 3 4 1 45 207.301 3

Activity (Go SEA)

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