UCSF

ZINC61761288

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2011 25 Yes

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) 2.38 7.71 -14.22 1 6 0 69 344.459 9
Mid Mid (pH 6-8) 2.38 9.76 -46.92 2 6 1 70 345.467 9
Mid Mid (pH 6-8) 2.84 7.08 -37.89 1 6 0 74 344.459 9

Activity (Go SEA)

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