UCSF

ZINC20588601

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 16 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) 1.02 3.72 -58.9 2 5 -1 74 233.276 3
Mid Mid (pH 6-8) 0.29 3.88 -21.48 3 5 0 77 234.284 3

Activity (Go SEA)

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