UCSF

ZINC52267923

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 12 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) 1.70 3.32 -44.56 1 3 -1 60 173.232 4
Lo Low (pH 4.5-6) 1.70 1.27 -5.73 2 3 0 58 174.24 4

Activity (Go SEA)

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