UCSF

ZINC44118575

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 18 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) 1.37 1.51 -6.13 1 4 0 42 251.326 4
Mid Mid (pH 6-8) 1.37 3.81 -35.03 2 4 1 43 252.334 4

Activity (Go SEA)

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