UCSF

ZINC19906855

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 16 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) 4.17 6.5 -6.22 1 2 0 25 214.312 3
Mid Mid (pH 6-8) 4.17 6.92 -28.53 2 2 1 26 215.32 3

Activity (Go SEA)

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