UCSF

ZINC37816715

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) 2.64 6.66 -41.78 3 3 1 48 253.41 4
Hi High (pH 8-9.5) 2.64 6.37 -6.55 2 3 0 46 252.402 4

Activity (Go SEA)

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