UCSF

ZINC42867481

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 13 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) 0.82 2.3 -36.2 2 3 1 38 201.315 6
Hi High (pH 8-9.5) 0.82 -0.02 -6.49 1 3 0 36 200.307 6

Activity (Go SEA)

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