UCSF

ZINC37038073

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) -1.23 1.49 -94.02 5 6 2 68 271.409 6
Hi High (pH 8-9.5) -1.23 -0.5 -52.08 4 6 1 66 270.401 6

Activity (Go SEA)

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