UCSF

ZINC08996727

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 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) 2.52 10.13 -62.78 4 7 1 95 450.588 5
Mid Mid (pH 6-8) 2.52 10.59 -125.59 5 7 2 96 451.596 5

Activity (Go SEA)

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