UCSF

ZINC34439931

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 21 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) 3.70 11.24 -35.2 1 2 1 17 299.825 4
Hi High (pH 8-9.5) 3.70 8.76 -5.03 0 2 0 16 298.817 4

Activity (Go SEA)

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