UCSF

ZINC42580599

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) 3.17 6.5 -31.32 2 2 1 16 225.4 3
Mid Mid (pH 6-8) 3.17 5.98 -36.05 2 2 1 20 225.4 3
Mid Mid (pH 6-8) 3.17 7.75 -101.28 3 2 2 21 226.408 3

Activity (Go SEA)

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