UCSF

ZINC33754341

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 36 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) 4.76 9.23 -78.65 4 6 2 56 498.756 14
Hi High (pH 8-9.5) 4.76 9.21 -80.92 4 6 2 56 498.756 14
Hi High (pH 8-9.5) 4.76 6.76 -38.87 3 6 1 55 497.748 14
Mid Mid (pH 6-8) 4.76 9.26 -77.11 4 6 2 56 498.756 14
Lo Low (pH 4.5-6) 4.76 11.7 -160.43 5 6 3 57 499.764 14
Lo Low (pH 4.5-6) 4.76 14.15 -254.19 6 6 4 58 500.772 14

Activity (Go SEA)

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