UCSF

ZINC35465265

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 17 No

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) 3.40 9.34 -51.7 0 2 -1 40 233.331 1
Mid Mid (pH 6-8) 3.40 7.43 -4.64 1 2 0 37 234.339 1

Activity (Go SEA)

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