UCSF

ZINC37824471

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 No

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) -0.86 2.48 -52.66 2 6 1 73 299.42 6
Mid Mid (pH 6-8) -0.86 3.4 -59 2 6 1 70 299.42 6
Mid Mid (pH 6-8) -0.86 1.16 -11.95 1 6 0 69 298.412 6
Lo Low (pH 4.5-6) -0.86 4.75 -124.86 3 6 2 74 300.428 6

Activity (Go SEA)

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