UCSF

ZINC01503111

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.87 0.44 -108.12 2 5 2 42 380.536 5
Lo Low (pH 4.5-6) 1.87 0.56 -173.58 3 5 3 43 381.544 5

Activity (Go SEA)

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