UCSF

ZINC36747227

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) 0.01 -0.6 -20.91 4 6 0 101 280.353 5
Lo Low (pH 4.5-6) 0.01 0.79 -61.2 5 6 1 105 281.361 5

Activity (Go SEA)

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