UCSF

ZINC40939221

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 27 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) 1.75 3.06 -12.15 2 8 0 104 376.361 5
Hi High (pH 8-9.5) 1.75 4.11 -55.85 1 8 -1 107 375.353 5

Activity (Go SEA)

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