UCSF

ZINC39907678

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 20 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) 4.20 11.58 -9.59 0 2 0 18 282.774 3
Lo Low (pH 4.5-6) 4.20 11.88 -26.82 1 2 1 19 283.782 3

Activity (Go SEA)

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