UCSF

ZINC37007031

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) -0.68 -1.41 -56.49 6 5 1 100 244.221 3
Hi High (pH 8-9.5) -0.68 -1.73 -11.09 5 5 0 98 243.213 3

Activity (Go SEA)

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