UCSF

ZINC40175261

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 29 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) 4.54 12.3 -36.03 1 5 1 47 455.376 6
Mid Mid (pH 6-8) 4.54 14.51 -89.31 2 5 2 48 456.384 6
Mid Mid (pH 6-8) 4.54 14.1 -40.8 1 5 1 47 455.376 6
Mid Mid (pH 6-8) 4.54 11.89 -5.62 0 5 0 46 454.368 6

Activity (Go SEA)

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