UCSF

ZINC43287107

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 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) 3.80 6.35 -47.73 3 2 1 31 425.235 5
Hi High (pH 8-9.5) 3.80 5.95 -2.44 2 2 0 29 424.227 5
Lo Low (pH 4.5-6) 3.80 8.06 -125.81 4 2 2 32 426.243 5

Activity (Go SEA)

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