UCSF

ZINC37855064

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 2.72 7.07 -42.79 3 3 1 46 281.445 8
Hi High (pH 8-9.5) 2.72 5.82 -7.49 2 3 0 41 280.437 8

Activity (Go SEA)

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