UCSF

ZINC39228948

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 28 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) 4.00 10.14 -11.79 1 5 0 58 378.52 4
Lo Low (pH 4.5-6) 4.00 10.59 -38.61 2 5 1 59 379.528 4

Activity (Go SEA)

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