UCSF

ZINC26531606

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 19 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) 2.89 0.91 -37.5 1 5 -1 81 362.612 3
Lo Low (pH 4.5-6) 2.89 0.84 -11.49 2 5 0 79 363.62 3

Activity (Go SEA)

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