UCSF

ZINC37803520

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 0.24 5.02 -42.08 2 6 1 66 298.407 5
Hi High (pH 8-9.5) 0.24 3.99 -17.17 1 6 0 62 297.399 5

Activity (Go SEA)

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