UCSF

ZINC00620681

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 22 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) 4.07 7.31 -20.59 1 5 0 64 317.414 4
Hi High (pH 8-9.5) 4.26 6.22 -49.03 0 5 -1 70 316.406 4

Activity (Go SEA)

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