UCSF

ZINC61824843

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 18 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) 3.69 9.06 -47.85 0 3 -1 57 288.15 5
Lo Low (pH 4.5-6) 3.69 7.08 -13.83 1 3 0 54 289.158 5

Activity (Go SEA)

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