UCSF

ZINC20253069

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 14 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) 0.68 3.81 -37.29 2 3 1 29 214.358 6
Mid Mid (pH 6-8) 0.68 5.24 -101.03 3 3 2 34 215.366 6
Mid Mid (pH 6-8) 0.68 2.7 -38.95 2 3 1 33 214.358 6

Activity (Go SEA)

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