UCSF

ZINC04982442

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 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) 3.41 9.43 -37.5 1 4 1 36 327.448 5
Lo Low (pH 4.5-6) 3.41 9.93 -103.28 2 4 2 37 328.456 5

Activity (Go SEA)

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