UCSF

ZINC13569576

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 22 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) 1.31 4.54 -40.64 2 5 1 56 303.382 8
Lo Low (pH 4.5-6) 1.31 4.83 -99.56 3 5 2 57 304.39 8

Activity (Go SEA)

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