UCSF

ZINC12021628

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 31 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) 2.90 8.07 -52.33 2 7 1 88 444.577 8
Hi High (pH 8-9.5) 2.90 6.47 -18.82 1 7 0 87 443.569 8

Activity (Go SEA)

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