UCSF

ZINC37216936

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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 8.87 -31.29 2 3 1 26 277.432 6
Hi High (pH 8-9.5) 3.08 6.52 -2.57 1 3 0 24 276.424 6
Mid Mid (pH 6-8) 3.08 8.59 -110.15 3 3 2 30 278.44 6

Activity (Go SEA)

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