UCSF

ZINC38907126

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 32 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) 3.35 9.67 -40.27 2 7 1 68 433.532 8
Hi High (pH 8-9.5) 3.35 9.33 -16.82 1 7 0 67 432.524 8
Mid Mid (pH 6-8) 3.35 11.88 -104.53 3 7 2 69 434.54 8
Mid Mid (pH 6-8) 3.35 11.57 -49.77 2 7 1 68 433.532 8

Activity (Go SEA)

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