UCSF

ZINC45341555

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 24 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) 1.09 3.69 -46.46 2 6 1 59 347.361 7
Hi High (pH 8-9.5) 1.09 1.32 -14.97 1 6 0 58 346.353 7

Activity (Go SEA)

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