UCSF

ZINC04057298

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 34 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) 3.18 10.39 -50.64 2 7 1 74 487.621 7
Mid Mid (pH 6-8) 3.18 8.19 -17.5 1 7 0 73 486.613 7

Activity (Go SEA)

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