UCSF

ZINC52304064

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 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) 1.55 6.36 -52.58 3 3 1 45 270.278 5
Hi High (pH 8-9.5) 1.55 5.97 -9.72 2 3 0 44 269.27 5
Lo Low (pH 4.5-6) 1.55 6.59 -105.32 4 3 2 47 271.286 5

Activity (Go SEA)

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