UCSF

ZINC53155371

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 3.56 8.26 -38.43 2 2 1 16 285.814 5
Mid Mid (pH 6-8) 3.56 7.23 -47.82 2 2 1 20 285.814 5
Lo Low (pH 4.5-6) 3.56 9.45 -118.55 3 2 2 21 286.822 5

Activity (Go SEA)

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