UCSF

ZINC21986721

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 16 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) 2.50 5.58 -35.75 2 2 1 20 219.352 3
Mid Mid (pH 6-8) 2.50 7.94 -116.27 3 2 2 21 220.36 3
Mid Mid (pH 6-8) 2.50 4.31 -2.12 1 2 0 15 218.344 3

Activity (Go SEA)

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