UCSF

ZINC07586876

Substance Information

In ZINC since Heavy atoms Benign functionality
June 6th, 2006 24 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) 3.61 9.17 -58.31 0 4 -1 66 315.352 2
Lo Low (pH 4.5-6) 3.61 9.44 -82.99 1 4 0 67 316.36 2

Activity (Go SEA)

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