UCSF

ZINC47045501

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2010 27 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.53 5.41 -42.65 3 7 1 79 376.525 10
Hi High (pH 8-9.5) 2.53 5.11 -18.9 2 7 0 78 375.517 10
Mid Mid (pH 6-8) 2.53 7.03 -36.77 3 7 1 79 376.525 10

Activity (Go SEA)

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