UCSF

ZINC20475228

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 17 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) 2.99 5.3 -49.72 3 2 1 31 318.304 3
Lo Low (pH 4.5-6) 2.99 6.93 -133.69 4 2 2 32 319.312 3

Activity (Go SEA)

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