UCSF

ZINC09915518

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2007 30 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) 1.76 4.72 -19.61 1 8 0 104 449.554 6
Hi High (pH 8-9.5) 1.76 4.8 -58.23 0 8 -1 106 448.546 6

Activity (Go SEA)

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