UCSF

ZINC70514000

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 2.30 4.55 -87.76 4 4 2 45 303.535 12
Mid Mid (pH 6-8) 2.30 5.32 -75.75 4 4 2 45 303.535 12
Mid Mid (pH 6-8) 2.30 6.94 -181.9 5 4 3 46 304.543 12

Activity (Go SEA)

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