UCSF

ZINC41714888

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 17 No

Download: MOL2 SDF SMILES Flexibase

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) 2.77 4.93 -7.29 1 3 0 41 255.745 4
Hi High (pH 8-9.5) 2.77 5.69 -37.14 0 3 -1 43 254.737 4

Activity (Go SEA)

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