UCSF

ZINC42946794

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 20 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) 1.68 4.03 -127.06 5 4 2 62 302.846 8
Hi High (pH 8-9.5) 1.68 2.52 -48.91 4 4 1 60 301.838 8
Mid Mid (pH 6-8) 1.68 3.73 -41.38 4 4 1 60 301.838 8

Activity (Go SEA)

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