UCSF

ZINC37817569

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) 0.43 4.16 -46.42 3 6 1 69 295.407 4
Hi High (pH 8-9.5) 0.43 2.96 -17.84 2 6 0 65 294.399 4

Activity (Go SEA)

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