UCSF

ZINC05816928

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 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) 0.11 3.67 -41.76 3 5 1 68 254.354 3
Hi High (pH 8-9.5) 0.11 1.51 -13.26 2 5 0 67 253.346 3

Activity (Go SEA)

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