UCSF

ZINC13389604

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 25 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) 5.45 7.86 -8.97 1 5 0 64 352.415 3
Mid Mid (pH 6-8) 4.96 7.77 -46.78 0 5 -1 63 351.407 4
Lo Low (pH 4.5-6) 4.96 8.24 -16.03 1 5 0 60 352.415 4

Activity (Go SEA)

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