UCSF

ZINC36869269

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 0.12 4.82 -46.38 2 6 1 66 284.38 5
Hi High (pH 8-9.5) 0.12 3.45 -13.64 1 6 0 62 283.372 5

Activity (Go SEA)

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