UCSF

ZINC16578522

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 17 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) 3.36 6.51 -8.48 0 3 0 46 289.132 2
Lo Low (pH 4.5-6) 3.36 7.15 -36.56 1 3 1 47 290.14 2

Activity (Go SEA)

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