UCSF

ZINC36463201

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 26 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) 5.07 11.59 -14.66 1 3 0 57 338.41 2
Hi High (pH 8-9.5) 5.53 9.72 -52.89 0 3 -1 60 337.402 2

Activity (Go SEA)

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