UCSF

ZINC34670531

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 28 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) 2.31 8.53 -13.68 0 5 0 42 386.467 8
Lo Low (pH 4.5-6) 2.31 10.8 -53.81 1 5 1 43 387.475 8

Activity (Go SEA)

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