UCSF

ZINC26377880

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 29 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) 0.46 10.07 -91.09 1 6 0 70 403.429 3
Mid Mid (pH 6-8) -2.29 9.12 -63.7 2 6 1 73 404.437 2

Activity (Go SEA)

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