UCSF

ZINC53129751

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 0.09 1.47 -48.14 3 5 1 79 219.268 4
Lo Low (pH 4.5-6) 0.09 1.93 -89.98 4 5 2 81 220.276 4

Activity (Go SEA)

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