UCSF

ZINC35385887

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.96 4.93 -52.06 2 5 0 83 263.322 6
Hi High (pH 8-9.5) 0.96 3.57 -53.52 1 5 -1 78 262.314 6

Activity (Go SEA)

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