UCSF

ZINC34885237

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 31 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) -3.02 -6.35 -65.2 10 13 1 205 456.505 9
Hi High (pH 8-9.5) -2.30 -7.16 -62.94 8 13 -1 201 454.489 9
Mid Mid (pH 6-8) -3.02 -6.69 -30.69 9 13 0 204 455.497 9

Activity (Go SEA)

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