UCSF

ZINC42175450

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 20 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) 4.18 6.97 -5.39 2 3 0 52 288.778 2
Lo Low (pH 4.5-6) 4.18 6.93 -28.68 3 3 1 53 289.786 2

Activity (Go SEA)

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