UCSF

ZINC43799282

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 29 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) 6.00 15.43 -49.16 0 4 -1 74 395.519 11
Lo Low (pH 4.5-6) 6.00 13.44 -10.3 1 4 0 71 396.527 11
Lo Low (pH 4.5-6) 6.00 13.45 -10.83 1 4 0 71 396.527 11

Activity (Go SEA)

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