UCSF

ZINC19935150

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.23 6.89 -39.97 1 3 1 31 244.362 3
Mid Mid (pH 6-8) 2.23 4.51 -6.86 0 3 0 30 243.354 3

Activity (Go SEA)

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