UCSF

ZINC37777259

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 2.51 9.16 -38.09 2 3 1 34 284.427 4
Mid Mid (pH 6-8) 2.51 8.22 -6.41 1 3 0 30 283.419 4
Lo Low (pH 4.5-6) 2.51 9.33 -97.33 3 3 2 36 285.435 4

Activity (Go SEA)

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