UCSF

ZINC34455489

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 15 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) 3.31 6.63 -4.29 0 2 0 27 206.333 2
Lo Low (pH 4.5-6) 3.31 8.5 -41.27 1 2 1 28 207.341 2

Activity (Go SEA)

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