UCSF

ZINC41586553

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 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) 4.64 11.11 -40.94 2 6 1 77 395.479 7
Hi High (pH 8-9.5) 4.64 11.67 -24.01 1 6 0 80 394.471 7
Hi High (pH 8-9.5) 4.64 9.44 -44.86 0 6 -1 79 393.463 7
Mid Mid (pH 6-8) 4.64 8.85 -13.93 1 6 0 76 394.471 7

Activity (Go SEA)

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