UCSF

ZINC41587388

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 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) 3.88 8.68 -12.5 0 6 0 65 428.488 5
Mid Mid (pH 6-8) 3.88 9.42 -43.03 1 6 1 66 429.496 5

Activity (Go SEA)

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