UCSF

ZINC44647260

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 13 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) -0.14 -1.43 -41.47 5 5 1 89 188.251 6
Hi High (pH 8-9.5) -0.14 -2.77 -9.12 4 5 0 84 187.243 6

Activity (Go SEA)

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