UCSF

ZINC37856046

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.89 7.35 -173.15 5 4 3 46 290.516 13
Hi High (pH 8-9.5) 1.89 7.88 -87.48 4 4 2 49 289.508 13

Activity (Go SEA)

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