UCSF

ZINC01196030

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.86 -4.19 -30.55 3 7 0 104 485.565 7
Hi High (pH 8-9.5) 4.86 -3.63 -66.01 2 7 -1 106 484.557 7

Activity (Go SEA)

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