UCSF

ZINC37084267

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 0.91 4.1 -98.87 4 3 2 41 202.342 6
Mid Mid (pH 6-8) 0.91 4.64 -37.15 3 3 1 44 201.334 6

Activity (Go SEA)

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