UCSF

ZINC44824740

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 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) 2.18 6.65 -11.42 0 4 0 57 245.326 5
Lo Low (pH 4.5-6) 2.18 7.11 -42.79 1 4 1 58 246.334 5

Activity (Go SEA)

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