UCSF

ZINC37786263

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 3.10 2.8 -32.58 4 4 1 57 293.431 4
Lo Low (pH 4.5-6) 3.10 3.99 -106.44 5 4 2 61 294.439 4

Activity (Go SEA)

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