UCSF

ZINC36873410

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 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) -0.30 0.52 -41.57 4 4 1 68 201.29 6
Hi High (pH 8-9.5) -0.30 -0.04 -8.51 3 4 0 67 200.282 6

Activity (Go SEA)

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