UCSF

ZINC41586548

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) 4.27 9.94 -42.15 2 6 1 77 399.442 6
Hi High (pH 8-9.5) 4.27 8.48 -43.96 0 6 -1 79 397.426 6
Mid Mid (pH 6-8) 4.27 10.72 -24.41 1 6 0 80 398.434 6
Mid Mid (pH 6-8) 4.27 7.72 -11.34 1 6 0 76 398.434 6

Activity (Go SEA)

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