UCSF

ZINC40175235

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) 4.16 12.46 -31.22 1 5 1 47 390.507 6
Mid Mid (pH 6-8) 4.16 14.67 -87.69 2 5 2 48 391.515 6
Mid Mid (pH 6-8) 4.16 14.33 -44.27 1 5 1 47 390.507 6
Mid Mid (pH 6-8) 4.16 12.12 -7.31 0 5 0 46 389.499 6

Activity (Go SEA)

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