UCSF

ZINC16661505

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2008 32 Yes

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) 0.81 0.31 -29.14 2 12 0 165 486.528 7
Hi High (pH 8-9.5) 0.81 -0.11 -66.94 1 12 -1 167 485.52 7

Activity (Go SEA)

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