UCSF

ZINC70614267

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) 3.23 7.05 -100.85 4 2 2 32 228.424 4
Hi High (pH 8-9.5) 3.23 5.46 -40.63 3 2 1 31 227.416 4
Mid Mid (pH 6-8) 3.23 6.75 -31.57 3 2 1 30 227.416 4

Activity (Go SEA)

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