UCSF

ZINC10268528

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2007 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) 1.74 3.66 -14.92 4 6 0 101 320.352 5
Mid Mid (pH 6-8) 2.05 1.25 -10.39 4 6 0 102 320.352 5
Mid Mid (pH 6-8) 1.74 3.73 -14.42 4 6 0 101 320.352 5

Activity (Go SEA)

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