UCSF

ZINC40719370

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 15 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) 0.53 4.39 -98.78 4 3 2 46 207.321 4
Hi High (pH 8-9.5) 0.53 3.01 -40.66 3 3 1 42 206.313 4

Activity (Go SEA)

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