UCSF

ZINC20091835

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 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) -0.76 4.2 -47.31 2 6 1 60 255.342 6
Mid Mid (pH 6-8) -0.76 5.63 -116.15 3 6 2 65 256.35 6
Mid Mid (pH 6-8) -0.76 3.09 -53.78 2 6 1 64 255.342 6

Activity (Go SEA)

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