UCSF

ZINC59718457

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 18 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) 5.61 11.13 -106.73 3 2 2 21 258.494 14
Mid Mid (pH 6-8) 5.61 8.82 -35.63 2 2 1 20 257.486 14
Mid Mid (pH 6-8) 5.61 9.69 -32.64 2 2 1 16 257.486 14

Activity (Go SEA)

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