UCSF

ZINC36786102

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) 3.07 9.12 -44.71 2 3 1 33 270.4 5
Hi High (pH 8-9.5) 3.07 7.66 -5.84 1 3 0 28 269.392 5
Mid Mid (pH 6-8) 3.07 9.51 -93.85 3 3 2 34 271.408 5

Activity (Go SEA)

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