UCSF

ZINC20353771

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 18 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) 1.84 5.07 -52.85 1 5 -1 70 244.274 4
Lo Low (pH 4.5-6) 1.84 3.98 -10.76 2 5 0 67 245.282 4

Activity (Go SEA)

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