UCSF

ZINC58202208

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 20 Yes

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) 3.89 4.6 -38.98 0 4 -1 61 348.256 4
Lo Low (pH 4.5-6) 3.89 4.57 -8.77 1 4 0 59 349.264 4

Activity (Go SEA)

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