UCSF

ZINC20031400

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 18 No

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) 1.44 6.38 -10.63 1 6 0 84 244.254 5
Lo Low (pH 4.5-6) 1.44 6.76 -39.03 2 6 1 85 245.262 5

Activity (Go SEA)

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