UCSF

ZINC53133647

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 2.12 3.18 -52.39 3 5 1 79 273.36 3
Lo Low (pH 4.5-6) 2.12 3.65 -96.41 4 5 2 81 274.368 3

Activity (Go SEA)

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