UCSF

ZINC37989592

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 2.44 5.56 -42.18 2 4 1 51 301.407 5
Hi High (pH 8-9.5) 2.44 3.36 -8.2 1 4 0 49 300.399 5

Activity (Go SEA)

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