UCSF

ZINC37051793

Substance Information

In ZINC since Heavy atoms Benign functionality
November 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) 0.23 4.27 -42.02 2 4 1 44 224.328 5
Hi High (pH 8-9.5) 0.23 2.89 -7.93 1 4 0 39 223.32 5

Activity (Go SEA)

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