UCSF

ZINC39677796

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 39 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) 1.45 5.81 -54.6 3 9 1 97 537.681 8
Lo Low (pH 4.5-6) 1.45 8.08 -112.97 4 9 2 98 538.689 8

Activity (Go SEA)

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