UCSF

ZINC37996798

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 3.19 8.73 -32.57 2 3 1 26 289.443 7
Mid Mid (pH 6-8) 3.19 7.72 -40.64 2 3 1 29 289.443 7

Activity (Go SEA)

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