UCSF

ZINC04169980

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 24 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) 2.50 6.3 -20.9 1 5 0 76 343.404 4
Hi High (pH 8-9.5) 3.80 5.02 -44.94 0 5 -1 79 342.396 4

Activity (Go SEA)

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