UCSF

ZINC22213658

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 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) -0.91 1.3 -42.21 3 6 1 71 269.369 3
Hi High (pH 8-9.5) -0.91 -1.08 -13.83 2 6 0 70 268.361 3

Activity (Go SEA)

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