UCSF

ZINC36732287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) 3.35 7.59 -60.45 3 5 1 83 265.333 5
Hi High (pH 8-9.5) 3.35 7.19 -10.47 2 5 0 81 264.325 5

Activity (Go SEA)

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