UCSF

ZINC20120684

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 3.57 5.75 -3.22 1 3 0 24 290.451 5
Mid Mid (pH 6-8) 3.57 7.33 -39.45 2 3 1 29 291.459 5
Lo Low (pH 4.5-6) 3.57 8.22 -32.89 2 3 1 26 291.459 5

Activity (Go SEA)

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