UCSF

ZINC42138101

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 16 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) 3.64 7.43 -2.57 2 2 0 29 218.344 3
Lo Low (pH 4.5-6) 3.64 7.31 -34.77 3 2 1 31 219.352 3
Lo Low (pH 4.5-6) 3.64 7.44 -29.45 3 2 1 30 219.352 3

Activity (Go SEA)

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