UCSF

ZINC01534629

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 31 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) 4.72 1.64 -52 0 8 -1 96 415.525 10
Lo Low (pH 4.5-6) 4.72 1.73 -47.28 1 8 0 97 416.533 10

Activity (Go SEA)

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