UCSF

ZINC34404523

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 28 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) 2.15 4.04 -12.92 3 7 0 90 404.898 7
Lo Low (pH 4.5-6) 2.15 4.5 -42.26 4 7 1 91 405.906 7

Activity (Go SEA)

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