UCSF

ZINC20439688

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 24 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) 5.80 12.82 -11.19 0 2 0 18 316.379 3
Mid Mid (pH 6-8) 5.80 13.23 -28.45 1 2 1 19 317.387 3

Activity (Go SEA)

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