UCSF

ZINC12233395

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 31 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) 1.41 -2.19 -12.38 1 8 0 95 436.472 5
Lo Low (pH 4.5-6) 1.41 -2.14 -45 2 8 1 96 437.48 5

Activity (Go SEA)

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