UCSF

ZINC36272357

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 25 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) 2.74 7.83 -39.62 3 6 1 66 337.403 3
Hi High (pH 8-9.5) 2.74 5.5 -10.7 2 6 0 65 336.395 3
Mid Mid (pH 6-8) 2.74 8.11 -92.99 4 6 2 67 338.411 3
Mid Mid (pH 6-8) 2.74 5.68 -28.26 3 6 1 66 337.403 3

Activity (Go SEA)

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