UCSF

ZINC42947181

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 21 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) 3.64 6.32 -44.09 3 2 1 31 321.794 7
Hi High (pH 8-9.5) 3.64 6.05 -2.34 2 2 0 29 320.786 7
Lo Low (pH 4.5-6) 3.64 7.69 -121.47 4 2 2 32 322.802 7

Activity (Go SEA)

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