UCSF

ZINC36878904

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 1.51 3.2 -43.88 3 3 1 40 227.372 2
Mid Mid (pH 6-8) 1.51 4.89 -120.15 4 3 2 41 228.38 2

Activity (Go SEA)

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