UCSF

ZINC37869217

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 2.15 3.28 -48.27 4 5 1 78 279.36 6
Hi High (pH 8-9.5) 2.15 1.97 -9.28 3 5 0 74 278.352 6

Activity (Go SEA)

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