UCSF

ZINC35311908

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 30 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) 2.90 10.67 -20.78 1 8 0 98 437.554 7
Hi High (pH 8-9.5) 3.08 9.47 -52.25 0 8 -1 105 436.546 7

Activity (Go SEA)

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