UCSF

ZINC37825889

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) -0.41 2.36 -39.76 2 6 1 66 256.326 4
Lo Low (pH 4.5-6) -0.41 4.49 -96.76 3 6 2 68 257.334 4

Activity (Go SEA)

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