UCSF

ZINC42424375

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 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) 1.23 3.49 -34.68 2 3 1 34 202.318 6
Hi High (pH 8-9.5) 1.23 1.27 -3.63 1 3 0 33 201.31 6

Activity (Go SEA)

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