UCSF

ZINC19636950

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 19 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) 3.78 11.68 -110.1 2 2 2 9 264.457 9
Hi High (pH 8-9.5) 3.78 7.61 -1.54 0 2 0 6 262.441 9
Mid Mid (pH 6-8) 3.78 9.67 -33.64 1 2 1 8 263.449 9

Activity (Go SEA)

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