UCSF

ZINC20463143

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 29 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) 1.10 7.98 -69.54 3 7 0 108 401.507 7
Lo Low (pH 4.5-6) 1.10 6.85 -55.08 4 7 1 105 402.515 7

Activity (Go SEA)

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