UCSF

ZINC41586558

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 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) 4.46 10.06 -44.49 2 6 1 77 435.422 6
Hi High (pH 8-9.5) 4.46 8.59 -40.73 0 6 -1 79 433.406 6
Mid Mid (pH 6-8) 4.46 7.84 -10.83 1 6 0 76 434.414 6
Mid Mid (pH 6-8) 4.46 10.83 -24.01 1 6 0 80 434.414 6

Activity (Go SEA)

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