UCSF

ZINC10104895

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2007 29 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) 4.77 2.34 -10.37 0 7 0 65 395.507 4
Mid Mid (pH 6-8) 4.77 2.6 -29.51 1 7 1 66 396.515 4

Activity (Go SEA)

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