UCSF

ZINC40520764

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 35 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) 2.59 9.55 -61.29 5 9 1 139 491.605 12
Hi High (pH 8-9.5) 2.59 8.53 -14.8 4 9 0 134 490.597 12
Hi High (pH 8-9.5) 2.59 10.26 -42.92 4 9 0 142 490.597 12

Activity (Go SEA)

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