UCSF

ZINC34687070

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 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) 2.64 7.08 -14.16 0 7 0 60 442.556 10
Lo Low (pH 4.5-6) 2.64 9.35 -44.27 1 7 1 62 443.564 10

Activity (Go SEA)

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