UCSF

ZINC08982947

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 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) 4.98 9.85 -24.96 2 6 0 92 449.557 6
Hi High (pH 8-9.5) 5.44 8.59 -56.8 1 6 -1 95 448.549 6

Activity (Go SEA)

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