UCSF

ZINC20357266

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 30 No

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) 3.36 8.83 -15.11 1 6 0 46 429.586 10
Mid Mid (pH 6-8) 3.36 11.18 -65.14 2 6 1 47 430.594 10

Activity (Go SEA)

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