UCSF

ZINC42768657

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 2.01 3.11 -61.22 3 4 1 65 311.349 6
Hi High (pH 8-9.5) 2.01 2.71 -10.66 2 4 0 63 310.341 6

Activity (Go SEA)

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