UCSF

ZINC24332098

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2009 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) 1.45 3.08 -22.14 3 7 0 88 386.427 5
Mid Mid (pH 6-8) 1.45 5.29 -59.23 4 7 1 89 387.435 5

Activity (Go SEA)

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