UCSF

ZINC20083767

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.41 6.5 -58.47 0 7 -1 86 429.88 7
Mid Mid (pH 6-8) 2.41 8.83 -73.24 1 7 0 87 430.888 7

Activity (Go SEA)

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