UCSF

ZINC26100807

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 31 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) 3.44 10.7 -13.93 0 5 0 53 439.556 3
Lo Low (pH 4.5-6) 3.44 11.61 -34.58 1 5 1 55 440.564 3

Activity (Go SEA)

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