UCSF

ZINC29417167

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 29 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) 3.00 6.14 -55.6 3 5 1 59 389.475 0
Hi High (pH 8-9.5) 3.00 3.73 -15.42 2 5 0 58 388.467 0

Activity (Go SEA)

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