UCSF

ZINC43201902

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 25 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) 5.82 7.85 -7.69 2 3 0 49 428.126 4
Hi High (pH 8-9.5) 5.82 8.86 -45.57 1 3 -1 52 427.118 4

Activity (Go SEA)

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