UCSF

ZINC34973854

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 2.73 5.77 -5.28 1 2 0 36 232.352 2
Mid Mid (pH 6-8) 2.73 6.52 -41.02 2 2 1 40 233.36 2

Activity (Go SEA)

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