UCSF

ZINC62367470

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 14 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) -0.26 2.26 -46.28 2 5 1 55 203.262 7
Hi High (pH 8-9.5) -0.26 0.92 -12.07 1 5 0 51 202.254 7

Activity (Go SEA)

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