UCSF

ZINC45574382

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2010 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) 3.44 7.86 -11.19 1 3 0 42 288.435 5
Lo Low (pH 4.5-6) 3.44 8.22 -37.61 2 3 1 43 289.443 5

Activity (Go SEA)

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