UCSF

ZINC39856053

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 30 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) 3.44 10.43 -43.77 5 8 1 128 406.466 5
Hi High (pH 8-9.5) 3.44 10.41 -22.9 4 8 0 127 405.458 5

Activity (Go SEA)

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