UCSF

ZINC23133654

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 28 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) 3.03 7.18 -47.23 2 6 1 55 392.426 6
Mid Mid (pH 6-8) 3.03 4.71 -14.02 1 6 0 54 391.418 6

Activity (Go SEA)

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