UCSF

ZINC28018650

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 35 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) 4.19 14.45 -56.78 1 6 1 60 497.681 10
Hi High (pH 8-9.5) 4.19 12.1 -20.03 0 6 0 59 496.673 10

Activity (Go SEA)

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