UCSF

ZINC36746346

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 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) -0.45 0.41 -51.38 5 5 1 89 254.285 6
Hi High (pH 8-9.5) -0.45 -0.95 -15.57 4 5 0 84 253.277 6

Activity (Go SEA)

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