UCSF

ZINC20123990

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 3.48 8.43 -33.61 2 2 1 16 267.824 4
Mid Mid (pH 6-8) 3.48 6.9 -38.52 2 2 1 20 267.824 4

Activity (Go SEA)

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