UCSF

ZINC53125390

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 2.15 5.91 -97.37 4 3 2 41 256.434 6
Mid Mid (pH 6-8) 2.15 4.74 -32.96 3 3 1 37 255.426 6
Mid Mid (pH 6-8) 2.15 3.46 -31.8 3 3 1 40 255.426 6

Activity (Go SEA)

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