UCSF

ZINC20588821

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 12 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) 1.54 7.12 -14.25 1 3 0 34 185.296 4
Mid Mid (pH 6-8) 2.27 6.96 -46.73 0 3 -1 31 184.288 4

Activity (Go SEA)

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