UCSF

ZINC08033593

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2006 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) 4.45 7.29 -18.29 2 6 0 85 416.543 7
Mid Mid (pH 6-8) 4.45 7.34 -56.31 1 6 -1 87 415.535 7

Activity (Go SEA)

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