UCSF

ZINC41586328

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 27 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) 3.55 9.21 -43.89 2 6 1 81 374.457 5
Hi High (pH 8-9.5) 3.55 7.74 -45.16 0 6 -1 83 372.441 5
Mid Mid (pH 6-8) 3.55 9.98 -29.96 1 6 0 84 373.449 5
Mid Mid (pH 6-8) 3.55 6.98 -9.61 1 6 0 80 373.449 5

Activity (Go SEA)

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