UCSF

ZINC22639199

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 30 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) 1.74 12.59 -47.24 1 9 1 80 418.566 11
Hi High (pH 8-9.5) 1.74 10.28 -12.42 0 9 0 79 417.558 11
Lo Low (pH 4.5-6) 1.74 14.96 -128.03 2 9 2 82 419.574 11

Activity (Go SEA)

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