UCSF

ZINC03640582

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 16 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) 3.05 7.5 -37.1 1 2 1 14 220.336 3
Hi High (pH 8-9.5) 3.05 4.8 -3.21 0 2 0 12 219.328 3

Activity (Go SEA)

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