UCSF

ZINC34957681

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 11 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) -1.07 2.24 -43.41 3 3 1 45 154.237 2
Hi High (pH 8-9.5) -1.07 1.9 -5.57 2 3 0 44 153.229 2

Activity (Go SEA)

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