UCSF

ZINC38002030

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) 4.03 8.72 -32.58 2 2 1 16 320.32 6
Hi High (pH 8-9.5) 4.03 6.71 -1.69 1 2 0 15 319.312 6
Mid Mid (pH 6-8) 4.03 6.93 -37.65 2 2 1 20 320.32 6
Mid Mid (pH 6-8) 4.03 8.09 -116.64 3 2 2 21 321.328 6

Activity (Go SEA)

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