UCSF

ZINC21664340

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 34 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) 4.12 9.22 -54.71 3 7 1 86 487.69 11
Hi High (pH 8-9.5) 4.12 7.8 -14.95 2 7 0 82 486.682 11
Hi High (pH 8-9.5) 4.12 9.29 -73.7 2 7 0 88 486.682 11

Activity (Go SEA)

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