UCSF

ZINC37814490

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) 2.64 3.06 -38.06 5 5 1 91 272.413 11
Hi High (pH 8-9.5) 2.64 2.75 -10.76 4 5 0 89 271.405 11

Activity (Go SEA)

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