UCSF

ZINC45653501

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 3.71 9.74 -111.21 3 2 2 21 282.859 5
Hi High (pH 8-9.5) 3.71 6.37 -2.11 1 2 0 15 280.843 5
Mid Mid (pH 6-8) 3.71 8.76 -31.85 2 2 1 16 281.851 5
Lo Low (pH 4.5-6) 3.71 7.35 -38.38 2 2 1 20 281.851 5

Activity (Go SEA)

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