UCSF

ZINC04316789

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 23 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) 2.88 6.02 -16.7 2 5 0 75 329.425 4
Hi High (pH 8-9.5) 3.34 4.15 -54.63 1 5 -1 78 328.417 4

Activity (Go SEA)

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