UCSF

ZINC37819274

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -2.06 2.85 -96.01 4 6 2 73 258.366 3
Hi High (pH 8-9.5) -2.06 0.87 -11.62 2 6 0 70 256.35 3
Hi High (pH 8-9.5) -2.06 2.55 -40.44 3 6 1 71 257.358 3
Hi High (pH 8-9.5) -2.06 1.19 -48.13 3 6 1 71 257.358 3

Activity (Go SEA)

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