UCSF

ZINC43425273

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.30 6.57 -49.41 0 5 -1 70 278.328 2
Lo Low (pH 4.5-6) 1.30 4.49 -8.68 1 5 0 67 279.336 2

Activity (Go SEA)

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