UCSF

ZINC04200502

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 13 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) 2.58 5.17 -9.24 1 2 0 37 176.215 0
Hi High (pH 8-9.5) 2.58 6.16 -57.05 0 2 -1 40 175.207 0

Activity (Go SEA)

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