UCSF

ZINC58610110

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2011 19 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) 2.35 6.52 -8.23 1 5 0 64 263.341 5
Lo Low (pH 4.5-6) 2.35 6.69 -29.52 2 5 1 65 264.349 5

Activity (Go SEA)

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