UCSF

ZINC00446081

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 4.45 -3.01 -11.56 1 4 0 59 344.823 4
Hi High (pH 8-9.5) 4.45 -2.44 -41.02 0 4 -1 61 343.815 4

Activity (Go SEA)

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