UCSF

ZINC34962033

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 1.46 5.01 -34.19 2 3 1 20 232.351 2
Mid Mid (pH 6-8) 1.46 4.88 -33.86 2 3 1 20 232.351 2
Mid Mid (pH 6-8) 1.46 2.64 -3.54 1 3 0 19 231.343 2

Activity (Go SEA)

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