UCSF

ZINC08061787

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 21 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) 2.02 7.1 -46.36 1 7 1 81 307.355 4
Hi High (pH 8-9.5) 2.02 4.48 -12.89 0 7 0 80 306.347 4

Activity (Go SEA)

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