UCSF

ZINC42460434

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) -1.91 4.45 -116.18 1 8 -2 122 260.246 8
Lo Low (pH 4.5-6) -1.91 2.5 -60.93 2 8 -1 119 261.254 8

Activity (Go SEA)

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