UCSF

ZINC53118352

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 1.35 2.55 -98.24 5 4 2 61 274.449 8
Mid Mid (pH 6-8) 1.35 0.41 -35.27 4 4 1 60 273.441 8

Activity (Go SEA)

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