UCSF

ZINC39293672

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 13 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) 2.67 7.05 -32.16 1 1 1 4 194.323 1
Hi High (pH 8-9.5) 2.67 4.79 -2.29 0 1 0 3 193.315 1

Activity (Go SEA)

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