UCSF

ZINC34463661

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 22 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) 2.99 6 -8.41 3 5 0 74 300.358 8
Lo Low (pH 4.5-6) 2.99 6.58 -44.89 4 5 1 78 301.366 8
Lo Low (pH 4.5-6) 2.99 5.86 -46.35 4 5 1 75 301.366 8

Activity (Go SEA)

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