UCSF

ZINC58392379

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 25 Yes

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) 2.71 7.14 -44.93 3 5 1 68 344.479 5
Hi High (pH 8-9.5) 2.71 5.08 -14.9 2 5 0 67 343.471 5

Activity (Go SEA)

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