UCSF

ZINC22937247

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 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) 1.70 2.92 -44.69 3 4 1 49 267.393 10
Mid Mid (pH 6-8) 1.70 3.66 -36.92 3 4 1 46 267.393 10

Activity (Go SEA)

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