UCSF

ZINC21967455

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 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) 2.03 2.63 -69.76 3 4 0 76 280.324 4
Mid Mid (pH 6-8) 2.03 2.56 -56.09 4 4 1 74 281.332 4

Activity (Go SEA)

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