UCSF

ZINC03906481

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 26 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) 4.81 12.87 -13.04 1 4 0 46 341.414 3
Lo Low (pH 4.5-6) 4.81 13.14 -26.72 2 4 1 48 342.422 3

Activity (Go SEA)

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