UCSF

ZINC34561781

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 24 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) 3.96 8.78 -18.7 1 5 0 64 359.838 5
Mid Mid (pH 6-8) 4.03 7.84 -51.99 0 5 -1 70 358.83 5

Activity (Go SEA)

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