UCSF

ZINC40543223

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 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) 1.13 6.19 -93.92 3 5 2 47 285.432 6
Hi High (pH 8-9.5) 1.13 1.86 -7.28 1 5 0 45 283.416 6

Activity (Go SEA)

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