UCSF

ZINC72446687

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2012 25 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) 4.26 10.53 -8.61 1 3 0 32 340.442 6
Lo Low (pH 4.5-6) 4.26 11.17 -38.52 2 3 1 34 341.45 6

Activity (Go SEA)

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