UCSF

ZINC41679248

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 4.16 10.69 -38.28 1 3 1 22 329.295 7
Hi High (pH 8-9.5) 4.16 8.63 -5.01 0 3 0 21 328.287 7
Lo Low (pH 4.5-6) 4.16 11.32 -86.99 2 3 2 24 330.303 7

Activity (Go SEA)

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