UCSF

ZINC26533461

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 25 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) 5.34 13.85 -11.07 0 2 0 18 330.406 5
Mid Mid (pH 6-8) 5.34 14.26 -36.53 1 2 1 19 331.414 5

Activity (Go SEA)

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