UCSF

ZINC00593440

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 25 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) 5.37 -3.44 -11.72 1 4 0 59 392.933 6
Hi High (pH 8-9.5) 5.37 -2.86 -46.42 0 4 -1 61 391.925 6

Activity (Go SEA)

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