UCSF

ZINC20463126

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 30 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) 1.66 8.89 -71.15 3 7 0 108 415.534 8
Lo Low (pH 4.5-6) 1.66 7.76 -56.74 4 7 1 105 416.542 8

Activity (Go SEA)

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