UCSF

ZINC42451268

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 0.11 6.09 -55.71 0 6 -1 93 219.224 5
Lo Low (pH 4.5-6) 0.11 6.2 -48.36 1 6 0 94 220.232 5

Activity (Go SEA)

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