UCSF

ZINC25977922

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 21 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) 5.84 10.95 -7.28 1 2 0 29 358.055 2
Lo Low (pH 4.5-6) 5.84 11.37 -44.34 2 2 1 30 359.063 2

Activity (Go SEA)

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