UCSF

ZINC13636522

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 25 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) 4.66 11.69 -15.02 2 4 0 42 364.396 5
Ref Reference (pH 7) 3.98 11.23 -16.78 2 4 0 40 364.396 6
Hi High (pH 8-9.5) 4.66 10.86 -43 1 4 -1 40 363.388 5

Activity (Go SEA)

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