UCSF

ZINC39347525

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2010 14 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) 2.35 5.82 -37.07 2 2 1 20 191.298 1
Hi High (pH 8-9.5) 2.35 4.57 -1.89 1 2 0 15 190.29 1

Activity (Go SEA)

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