UCSF

ZINC37819261

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 No

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) -1.12 3.7 -44.99 2 6 1 57 301.436 3
Hi High (pH 8-9.5) -1.12 1.94 -12.97 1 6 0 56 300.428 3
Mid Mid (pH 6-8) -1.12 4.92 -100.89 3 6 2 62 302.444 3

Activity (Go SEA)

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