UCSF

ZINC34684905

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 27 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) 3.81 10.98 -9.47 0 4 0 27 365.521 5
Mid Mid (pH 6-8) 3.81 10.96 -32.83 1 4 1 28 366.529 5

Activity (Go SEA)

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