UCSF

ZINC26251022

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 24 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) 2.65 7.61 -41.19 2 4 1 37 322.432 3
Mid Mid (pH 6-8) 2.65 5.28 -7.63 1 4 0 36 321.424 3
Mid Mid (pH 6-8) 2.65 5.28 -7.64 1 4 0 36 321.424 3

Activity (Go SEA)

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