UCSF

ZINC41677485

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 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) 1.71 6.93 -38.65 2 4 1 53 233.339 6
Hi High (pH 8-9.5) 1.71 4.95 -4.6 1 4 0 52 232.331 6

Activity (Go SEA)

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