UCSF

ZINC20254755

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.42 1.91 -11.55 3 6 0 98 281.337 3
Mid Mid (pH 6-8) 1.42 1.99 -40.54 2 6 -1 100 280.329 3

Activity (Go SEA)

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