UCSF

ZINC20445595

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 15 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) 1.09 3.88 -52.34 0 5 -1 61 210.257 4
Mid Mid (pH 6-8) 1.09 3.98 -45.61 1 5 0 62 211.265 4

Activity (Go SEA)

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