UCSF

ZINC70518044

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 3.56 7.77 -36.72 3 3 1 46 286.395 7
Hi High (pH 8-9.5) 3.56 6.67 -5.25 2 3 0 41 285.387 7

Activity (Go SEA)

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