UCSF

ZINC22327040

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 21 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) 2.72 4.12 -17.13 2 6 0 75 287.319 4
Hi High (pH 8-9.5) 2.72 5.14 -60.33 1 6 -1 78 286.311 4
Mid Mid (pH 6-8) 2.72 4.4 -41.78 3 6 1 76 288.327 4

Activity (Go SEA)

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