UCSF

ZINC13010617

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 29 No

Download: MOL2 SDF SMILES Flexibase

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) 2.68 6.82 -16.83 2 8 0 108 412.471 5
Hi High (pH 8-9.5) 2.50 5.47 -46.97 1 8 -1 115 411.463 5

Activity (Go SEA)

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