UCSF

ZINC41161841

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 18 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) -0.20 2.29 -47.29 3 4 1 57 257.26 2
Hi High (pH 8-9.5) -0.20 1.84 -7.16 2 4 0 56 256.252 2

Activity (Go SEA)

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