UCSF

ZINC04526743

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 28 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) 4.71 10.81 -19.25 1 6 0 75 420.966 8
Hi High (pH 8-9.5) 4.90 9.34 -51.74 0 6 -1 82 419.958 8

Activity (Go SEA)

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