UCSF

ZINC19439504

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 17 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) 2.92 3.55 -43.36 3 3 1 46 251.272 3
Mid Mid (pH 6-8) 2.92 2.28 -9.36 2 3 0 41 250.264 3

Activity (Go SEA)

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