UCSF

ZINC37786280

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 2.37 6.69 -32.6 2 3 1 29 262.421 4
Mid Mid (pH 6-8) 2.37 5.56 -41.96 2 3 1 33 262.421 4
Lo Low (pH 4.5-6) 2.37 7.14 -78.42 3 3 2 31 263.429 4

Activity (Go SEA)

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