UCSF

ZINC37250460

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) -1.20 -0.65 -39.73 3 5 1 60 230.332 5
Hi High (pH 8-9.5) -1.20 -1.91 -10.9 2 5 0 56 229.324 5
Mid Mid (pH 6-8) -1.20 0.27 -40.2 3 5 1 57 230.332 5

Activity (Go SEA)

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