UCSF

ZINC19988856

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 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) 1.57 4.53 -43.16 2 5 1 54 318.507 6
Mid Mid (pH 6-8) 1.57 3.34 -54.73 2 5 1 57 318.507 6
Lo Low (pH 4.5-6) 1.57 5.7 -124.73 3 5 2 58 319.515 6

Activity (Go SEA)

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