UCSF

ZINC53149856

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 4.66 7.08 -56.35 3 2 1 37 335.613 4
Hi High (pH 8-9.5) 4.66 6.45 -36.61 1 2 -1 35 333.597 4
Mid Mid (pH 6-8) 4.66 7.84 -38.93 2 2 0 40 334.605 4
Mid Mid (pH 6-8) 4.66 5.7 -7.07 2 2 0 32 334.605 4

Activity (Go SEA)

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