UCSF

ZINC42909689

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.69 4.32 -102.28 5 3 2 52 280.456 8
Hi High (pH 8-9.5) 2.69 3.82 -36.62 4 3 1 51 279.448 8
Mid Mid (pH 6-8) 2.69 4 -25.1 4 3 1 51 279.448 8

Activity (Go SEA)

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