UCSF

ZINC62808844

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 17 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) -1.27 0.59 -27.09 1 6 0 75 251.267 1
Lo Low (pH 4.5-6) -1.27 1.08 -55.99 2 6 1 76 252.275 1

Activity (Go SEA)

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