UCSF

ZINC42194910

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 19 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) 1.33 3.95 -48.06 3 4 1 60 298.457 6
Hi High (pH 8-9.5) 1.33 1.79 -16.5 2 4 0 59 297.449 6

Activity (Go SEA)

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