UCSF

ZINC20177405

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 9 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) 1.65 2.7 -4.44 1 2 0 36 126.203 4
Mid Mid (pH 6-8) 1.65 4.02 -46.31 2 2 1 40 127.211 4

Activity (Go SEA)

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