UCSF

ZINC56895994

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2011 31 Yes

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) 1.06 7.13 -16.14 1 10 0 105 446.895 6
Hi High (pH 8-9.5) 1.52 4.44 -57.44 0 10 -1 109 445.887 6

Activity (Go SEA)

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