UCSF

ZINC04868133

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 27 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) 2.76 11.17 -21.6 1 8 0 104 387.465 5
Hi High (pH 8-9.5) 2.83 9.5 -49.81 0 8 -1 110 386.457 5

Activity (Go SEA)

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