UCSF

ZINC37188739

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 3.08 8.85 -118.31 3 3 2 30 357.336 6
Hi High (pH 8-9.5) 3.08 5.85 -2.48 1 3 0 24 355.32 6
Mid Mid (pH 6-8) 3.08 7.62 -36.98 2 3 1 26 356.328 6

Activity (Go SEA)

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