UCSF

ZINC36787915

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) 3.33 9.66 -44.72 2 3 1 33 272.416 5
Hi High (pH 8-9.5) 3.33 8.21 -5.24 1 3 0 28 271.408 5
Mid Mid (pH 6-8) 3.33 9.93 -93.2 3 3 2 34 273.424 5

Activity (Go SEA)

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