UCSF

ZINC20071847

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 2.26 3.4 -6.35 1 4 0 34 262.353 2
Mid Mid (pH 6-8) 2.26 5.63 -37.82 2 4 1 35 263.361 2

Activity (Go SEA)

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