UCSF

ZINC20048013

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 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) 1.55 8.17 -107.29 3 4 2 41 283.46 6
Hi High (pH 8-9.5) 1.55 6.77 -38.14 2 4 1 37 282.452 6
Mid Mid (pH 6-8) 1.55 5.89 -44.19 2 4 1 40 282.452 6

Activity (Go SEA)

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