UCSF

ZINC51455066

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 18 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) 2.49 8.23 -47.59 1 5 1 59 253.322 7
Mid Mid (pH 6-8) 2.49 6.16 -8.88 0 5 0 58 252.314 7

Activity (Go SEA)

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