UCSF

ZINC36273628

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 29 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) 2.79 11.05 -40.85 3 6 1 68 390.511 3
Hi High (pH 8-9.5) 2.79 9.76 -13.22 2 6 0 67 389.503 3
Mid Mid (pH 6-8) 2.79 11.37 -92.8 4 6 2 69 391.519 3

Activity (Go SEA)

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