UCSF

ZINC19833280

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 0.60 6.18 -58.35 4 5 1 83 275.376 7
Mid Mid (pH 6-8) 0.60 3.77 -16.34 3 5 0 82 274.368 7

Activity (Go SEA)

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