UCSF

ZINC43401944

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) -0.72 -1.02 -50.18 3 7 1 90 268.341 3
Hi High (pH 8-9.5) -0.72 -1.26 -11.48 2 7 0 88 267.333 3
Mid Mid (pH 6-8) -0.72 1.29 -110.54 4 7 2 91 269.349 3

Activity (Go SEA)

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