UCSF

ZINC20547005

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 4.67 7.24 -36.92 3 2 1 29 255.47 6
Hi High (pH 8-9.5) 4.67 7.31 -30.75 3 2 1 29 255.47 6
Mid Mid (pH 6-8) 4.67 8.27 -99.64 4 2 2 33 256.478 6

Activity (Go SEA)

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