UCSF

ZINC35515033

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 34 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) 6.60 15.36 -9.82 0 5 0 63 452.554 3
Lo Low (pH 4.5-6) 6.60 15.68 -31.63 1 5 1 65 453.562 3

Activity (Go SEA)

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