UCSF

ZINC37979057

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 16 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) 0.91 5.7 -44.01 2 4 1 50 225.312 7
Hi High (pH 8-9.5) 0.91 4.34 -9.02 1 4 0 45 224.304 7

Activity (Go SEA)

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