UCSF

ZINC20610098

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 27 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) 3.07 10.18 -60.29 1 5 1 47 365.453 5
Mid Mid (pH 6-8) 3.07 10.1 -51.97 1 5 1 47 365.453 5
Mid Mid (pH 6-8) 3.07 7.77 -12.35 0 5 0 46 364.445 5

Activity (Go SEA)

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