UCSF

ZINC31935108

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 2.95 7.51 -56.98 3 4 1 54 296.394 5
Lo Low (pH 4.5-6) 2.95 7.92 -96.02 4 4 2 55 297.402 5

Activity (Go SEA)

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