UCSF

ZINC36869945

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 13 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) -0.30 0.43 -56.46 1 4 1 51 206.287 3
Hi High (pH 8-9.5) -0.30 -1.83 -13.82 0 4 0 50 205.279 3

Activity (Go SEA)

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