UCSF

ZINC36986606

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 11 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) 0.61 6.08 -36.63 1 3 1 43 150.205 2
Mid Mid (pH 6-8) 0.61 5.61 -9.58 0 3 0 42 149.197 2

Activity (Go SEA)

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