UCSF

ZINC25497342

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 23 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) 3.96 9.74 -11.99 2 5 0 71 308.385 5
Lo Low (pH 4.5-6) 3.96 10.28 -42.34 3 5 1 72 309.393 5

Activity (Go SEA)

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