UCSF

ZINC04848423

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 28 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) 4.30 10.41 -33.85 2 6 1 58 374.42 5
Mid Mid (pH 6-8) 4.30 10.03 -14.01 1 6 0 57 373.412 5

Activity (Go SEA)

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