UCSF

ZINC13140515

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 27 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) 3.32 7.68 -50.53 1 6 -1 85 383.497 5
Lo Low (pH 4.5-6) 3.32 7.78 -16.52 2 6 0 83 384.505 5

Activity (Go SEA)

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