UCSF

ZINC12032535

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 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) 6.97 11.56 -10.5 1 4 0 54 420.921 5
Ref Reference (pH 7) 6.48 11.38 -44.04 0 4 -1 53 419.913 6

Activity (Go SEA)

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