UCSF

ZINC35741521

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 25 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) 2.50 7.21 -13.35 1 6 0 75 357.435 6
Lo Low (pH 4.5-6) 2.50 9.51 -61.63 2 6 1 76 358.443 6

Activity (Go SEA)

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