UCSF

ZINC20467611

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 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) 3.38 3.43 -35.25 2 5 -1 87 420.106 3
Mid Mid (pH 6-8) 3.38 3.39 -9.67 3 5 0 85 421.114 3

Activity (Go SEA)

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