UCSF

ZINC00532091

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 2.26 1.98 -12.24 1 6 0 81 312.354 5
Lo Low (pH 4.5-6) 2.26 2.27 -42.74 2 6 1 82 313.362 5

Activity (Go SEA)

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