UCSF

ZINC36789482

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 3.62 9.19 -45.44 2 3 1 33 272.416 6
Hi High (pH 8-9.5) 3.62 7.12 -5.85 1 3 0 28 271.408 6
Mid Mid (pH 6-8) 3.62 9.54 -90.84 3 3 2 34 273.424 6

Activity (Go SEA)

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