UCSF

ZINC31963566

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 2.10 5.92 -56.7 4 4 1 70 298.391 4
Hi High (pH 8-9.5) 2.29 4.77 -58.87 3 4 0 76 297.383 4

Activity (Go SEA)

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