UCSF

ZINC04963542

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 20 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) -2.36 -2.87 -65.3 5 9 1 130 282.28 3
Hi High (pH 8-9.5) -1.90 -6.18 -53.62 3 9 -1 128 280.264 3
Mid Mid (pH 6-8) -2.36 -4.13 -20.97 4 9 0 125 281.272 3

Activity (Go SEA)

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