UCSF

ZINC19965205

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) 2.27 6.78 -41.75 2 5 1 46 298.451 6
Mid Mid (pH 6-8) 2.27 5.6 -48.56 2 5 1 49 298.451 6
Lo Low (pH 4.5-6) 2.27 7.95 -118.71 3 5 2 51 299.459 6

Activity (Go SEA)

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