UCSF

ZINC08985459

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 39 No

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) 6.78 1.45 -12.26 0 6 0 74 527.592 9
Mid Mid (pH 6-8) 6.96 1.41 -13.43 0 6 0 74 527.592 9
Mid Mid (pH 6-8) 6.96 2.43 -12.69 0 6 0 74 527.592 9
Mid Mid (pH 6-8) 6.78 1.51 -15.26 0 6 0 74 527.592 9

Activity (Go SEA)

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