UCSF

ZINC41585144

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.78 8.32 -11.76 1 6 0 70 402.45 4
Mid Mid (pH 6-8) 3.78 8.92 -45.34 0 6 -1 73 401.442 4
Mid Mid (pH 6-8) 3.78 10.55 -46.42 2 6 1 71 403.458 4
Mid Mid (pH 6-8) 3.78 11.12 -31.86 1 6 0 74 402.45 4

Activity (Go SEA)

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