UCSF

ZINC70613277

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 16 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) 3.66 8.62 -112.88 3 2 2 21 228.424 6
Mid Mid (pH 6-8) 3.66 7.03 -33.36 2 2 1 20 227.416 6
Mid Mid (pH 6-8) 3.66 7.42 -32.44 2 2 1 16 227.416 6

Activity (Go SEA)

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