UCSF

ZINC04229887

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 30 No

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) 1.55 3.01 -16.23 3 9 0 120 430.848 5
Hi High (pH 8-9.5) 1.55 3.78 -57.07 2 9 -1 123 429.84 5

Activity (Go SEA)

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