UCSF

ZINC33823178

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 13 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) 1.74 2.97 -7.66 1 2 0 33 173.215 1
Lo Low (pH 4.5-6) 1.74 3.41 -28.66 2 2 1 34 174.223 1

Activity (Go SEA)

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