UCSF

ZINC33822325

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 15 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) 3.71 8.62 -48.32 0 3 -1 57 211.281 10
Lo Low (pH 4.5-6) 3.71 6.64 -10.6 1 3 0 54 212.289 10

Activity (Go SEA)

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