UCSF

ZINC13301488

Substance Information

In ZINC since Heavy atoms Benign functionality
June 16th, 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) 5.27 9.52 -21.01 2 6 0 84 450.292 4
Ref Reference (pH 7) 5.27 9.67 -16.12 2 6 0 84 450.292 4
Hi High (pH 8-9.5) 5.27 10.52 -67.44 1 6 -1 87 449.284 4
Hi High (pH 8-9.5) 5.27 10.68 -63.28 1 6 -1 87 449.284 4

Activity (Go SEA)

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