UCSF

ZINC17029061

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 24 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) 1.88 5.12 -17.6 0 5 0 67 370.471 3
Lo Low (pH 4.5-6) 1.88 6.4 -52.35 1 5 1 68 371.479 3

Activity (Go SEA)

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