UCSF

ZINC05734096

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 22 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) 4.30 6.58 -15.05 2 4 0 59 293.322 3
Hi High (pH 8-9.5) 4.30 7.58 -62.23 1 4 -1 61 292.314 3

Activity (Go SEA)

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