UCSF

ZINC42945259

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.15 7.3 -129.57 4 3 2 45 303.837 4
Hi High (pH 8-9.5) 2.15 7.41 -33.97 3 3 1 43 302.829 4
Mid Mid (pH 6-8) 2.15 5.87 -51.11 3 3 1 44 302.829 4
Lo Low (pH 4.5-6) 2.15 6.33 -93.55 4 3 2 45 303.837 4

Activity (Go SEA)

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