UCSF

ZINC37229463

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 2.66 7.83 -107.17 3 3 2 34 336.217 6
Hi High (pH 8-9.5) 2.66 6.47 -35 2 3 1 30 335.209 6
Mid Mid (pH 6-8) 2.66 5.38 -42.55 2 3 1 33 335.209 6

Activity (Go SEA)

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