UCSF

ZINC19794757

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 1.98 1.79 -9.21 1 5 0 51 295.379 6
Mid Mid (pH 6-8) 1.98 4.1 -43.97 2 5 1 52 296.387 6

Activity (Go SEA)

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