UCSF

ZINC42610252

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2010 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) -0.30 2.48 -41.3 3 5 1 66 233.332 8
Hi High (pH 8-9.5) -0.30 2.24 -6.36 2 5 0 65 232.324 8

Activity (Go SEA)

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