UCSF

ZINC20565797

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 3.46 9.08 -115.53 3 2 2 21 254.462 4
Mid Mid (pH 6-8) 3.46 6.73 -36.02 2 2 1 20 253.454 4

Activity (Go SEA)

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