UCSF

ZINC40865033

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 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) 2.64 5.01 -29.53 3 5 1 77 344.362 6
Hi High (pH 8-9.5) 2.64 6.77 -16.87 2 5 0 80 343.354 6

Activity (Go SEA)

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