UCSF

ZINC30141866

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2009 19 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) 3.84 8.57 -43.84 2 3 1 34 281.807 4
Hi High (pH 8-9.5) 3.84 6.37 -9.95 1 3 0 32 280.799 4

Activity (Go SEA)

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