UCSF

ZINC00751873

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 32 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) 4.52 -4.33 -20.39 2 7 0 105 469.588 5
Hi High (pH 8-9.5) 4.52 -3.91 -58.56 1 7 -1 107 468.58 5

Activity (Go SEA)

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