UCSF

ZINC36272347

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 28 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) 2.29 10.04 -47.65 3 6 1 68 376.484 3
Hi High (pH 8-9.5) 2.29 7.72 -14.36 2 6 0 67 375.476 3
Mid Mid (pH 6-8) 2.29 10.57 -92.15 4 6 2 69 377.492 3

Activity (Go SEA)

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