UCSF

ZINC39937087

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2010 13 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) -1.78 -3.7 -31.82 5 5 1 85 192.235 2
Hi High (pH 8-9.5) -1.78 -2.92 -38.8 4 5 0 88 191.227 2

Activity (Go SEA)

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