UCSF

ZINC37040352

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 2.62 9.49 -8.84 1 4 0 43 264.332 4
Lo Low (pH 4.5-6) 2.62 10.05 -29.82 2 4 1 44 265.34 4

Activity (Go SEA)

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