UCSF

ZINC34885138

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 32 No

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) -2.58 -5.3 -70.27 10 13 1 205 468.516 7
Hi High (pH 8-9.5) -1.85 -5.98 -60.65 8 13 -1 201 466.5 7
Mid Mid (pH 6-8) -2.58 -5.57 -28.48 9 13 0 204 467.508 7

Activity (Go SEA)

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