UCSF

ZINC37801424

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) 2.62 6.1 -42.6 3 4 1 57 311.471 7
Hi High (pH 8-9.5) 2.62 5.79 -9.33 2 4 0 56 310.463 7

Activity (Go SEA)

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