UCSF

ZINC47968169

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2010 17 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) 1.80 8.27 -92.48 2 3 2 18 242.407 6
Hi High (pH 8-9.5) 1.80 6.04 -33.81 1 3 1 17 241.399 6

Activity (Go SEA)

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