UCSF

ZINC19907324

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 20 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) 3.26 7.76 -36.66 2 3 1 26 277.432 7
Mid Mid (pH 6-8) 3.26 6.67 -45.94 2 3 1 29 277.432 7
Lo Low (pH 4.5-6) 3.26 9.03 -113.11 3 3 2 30 278.44 7

Activity (Go SEA)

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