UCSF

ZINC37843389

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 1.23 0.38 -16.61 2 6 0 92 326.827 7
Mid Mid (pH 6-8) 1.23 0.4 -41.51 1 6 -1 94 325.819 7
Mid Mid (pH 6-8) 1.23 0.4 -39.86 1 6 -1 94 325.819 7

Activity (Go SEA)

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