UCSF

ZINC79485684

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2012 24 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.50 5.49 -52.03 3 7 1 83 335.428 8
Hi High (pH 8-9.5) 0.50 3.52 -19.22 2 7 0 82 334.42 8

Activity (Go SEA)

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