UCSF

ZINC34677500

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 31 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) 2.14 2.41 -50.71 3 8 1 92 455.938 9
Mid Mid (pH 6-8) 2.14 0.15 -12.46 2 8 0 91 454.93 9

Activity (Go SEA)

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