UCSF

ZINC08321587

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2006 28 No

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) 3.47 8.85 -56.45 0 5 -1 74 396.419 5
Lo Low (pH 4.5-6) 3.47 8.1 -13.98 1 5 0 71 397.427 5

Activity (Go SEA)

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