UCSF

ZINC27969411

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 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) 1.32 3.03 -12.27 1 6 0 76 264.347 5
Hi High (pH 8-9.5) 1.32 2.76 -37.99 0 6 -1 78 263.339 5
Mid Mid (pH 6-8) 1.32 2.9 -40.55 2 6 1 80 265.355 5

Activity (Go SEA)

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