UCSF

ZINC44691943

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 2.99 8.1 -38.43 3 3 0 30 270.461 6
Hi High (pH 8-9.5) 2.99 7.88 -31.04 2 3 1 29 269.453 6
Hi High (pH 8-9.5) 2.99 7.34 -0.57 2 3 0 26 269.453 6

Activity (Go SEA)

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