UCSF

ZINC02855874

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 26 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) 4.49 -1.56 -13.96 1 6 0 81 377.462 10
Hi High (pH 8-9.5) 4.49 -0.98 -46.77 0 6 -1 83 376.454 10

Activity (Go SEA)

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