UCSF

ZINC37039544

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 1.61 8.67 -156.38 5 4 3 49 279.452 6
Mid Mid (pH 6-8) 1.61 8.31 -97.85 4 4 2 48 278.444 6

Activity (Go SEA)

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