UCSF

ZINC03335946

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 19 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) 3.11 6.97 -7.33 1 4 0 59 324.174 2
Mid Mid (pH 6-8) 3.17 4.63 -15.51 1 4 0 63 324.174 2

Activity (Go SEA)

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