UCSF

ZINC37792510

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) -0.08 1.4 -53.57 2 6 -1 99 268.289 7
Lo Low (pH 4.5-6) -0.08 -0.64 -14.86 3 6 0 96 269.297 7

Activity (Go SEA)

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