UCSF

ZINC08769436

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 28 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) 3.09 6.9 -12.96 1 6 0 69 377.444 4
Ref Reference (pH 7) 2.90 9.37 -11.33 1 6 0 65 377.444 4
Lo Low (pH 4.5-6) 3.08 9.52 -33.34 2 6 1 70 378.452 4

Activity (Go SEA)

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