UCSF

ZINC21010603

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 21 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) 4.03 11.96 -119.48 3 2 2 21 284.447 8
Mid Mid (pH 6-8) 4.03 10.71 -33.94 2 2 1 16 283.439 8
Mid Mid (pH 6-8) 4.03 9.6 -44.24 2 2 1 20 283.439 8

Activity (Go SEA)

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