UCSF

ZINC20306483

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 3.57 6.96 -33.54 3 3 1 37 291.459 6
Mid Mid (pH 6-8) 3.57 6.14 -45.4 3 3 1 40 291.459 6

Activity (Go SEA)

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