UCSF

ZINC33359056

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2009 11 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) -0.16 1.82 -40.05 2 4 1 43 159.209 2
Mid Mid (pH 6-8) -0.16 3.17 -112.88 3 4 2 47 160.217 2
Mid Mid (pH 6-8) -0.16 0.73 -36.32 2 4 1 46 159.209 2
Mid Mid (pH 6-8) -0.16 -0.64 -4.33 1 4 0 42 158.201 2

Activity (Go SEA)

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