UCSF

ZINC38754527

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.21 6.68 -53.54 1 8 -1 115 484.579 7
Hi High (pH 8-9.5) 3.21 6.81 -113.16 0 8 -2 117 483.571 7
Mid Mid (pH 6-8) 3.21 6.67 -19.15 2 8 0 113 485.587 7
Mid Mid (pH 6-8) 3.21 6.68 -57.34 1 8 -1 115 484.579 7

Activity (Go SEA)

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