UCSF

ZINC27734482

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 18 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) 0.61 5.2 -48.63 2 5 1 54 254.354 5
Hi High (pH 8-9.5) 0.61 2.91 -16.52 1 5 0 53 253.346 5

Activity (Go SEA)

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