UCSF

ZINC37786592

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 3.80 7.45 -32.32 2 2 1 16 287.88 4
Lo Low (pH 4.5-6) 3.80 8.64 -108.93 3 2 2 21 288.888 4

Activity (Go SEA)

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