UCSF

ZINC25316618

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 19 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) 0.16 1.64 -39.17 5 5 1 91 262.333 4
Mid Mid (pH 6-8) 0.16 -0.24 -16.63 4 5 0 89 261.325 4

Activity (Go SEA)

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