UCSF

ZINC36357831

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 27 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) 1.22 7.39 -18.7 1 7 0 89 367.405 7
Lo Low (pH 4.5-6) 1.22 7.85 -53.55 2 7 1 90 368.413 7

Activity (Go SEA)

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