UCSF

ZINC12371267

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 21 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) 1.36 3.39 -14.15 3 6 0 86 305.359 3
Lo Low (pH 4.5-6) 1.36 -3.2 -42.54 4 6 1 88 306.367 3

Activity (Go SEA)

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