UCSF

ZINC58848008

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2011 22 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) 1.68 6.96 -16.99 0 5 0 54 300.358 3
Mid Mid (pH 6-8) 1.68 9.17 -50.15 1 5 1 55 301.366 3

Activity (Go SEA)

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