UCSF

ZINC22236110

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 16 Yes

Other Names:

MFCD11557441

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) -0.39 6.34 -70.12 0 4 -1 62 220.179 1
Mid Mid (pH 6-8) -0.39 5.25 -44.77 1 4 0 65 221.187 1

Activity (Go SEA)

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