UCSF

ZINC42459967

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.31 3.58 -41.43 4 4 1 68 211.264 4
Lo Low (pH 4.5-6) 1.31 3.96 -88 5 4 2 69 212.272 4

Activity (Go SEA)

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