UCSF

ZINC37213816

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) 2.76 6.13 -40.05 2 3 1 33 335.209 5
Mid Mid (pH 6-8) 2.76 7.94 -115.74 3 3 2 34 336.217 5
Mid Mid (pH 6-8) 2.76 6.56 -30.69 2 3 1 30 335.209 5

Activity (Go SEA)

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