UCSF

ZINC41666779

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 Yes

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) 2.80 7.11 -14.78 0 8 0 81 444.528 8
Mid Mid (pH 6-8) 2.80 9.94 -51.74 1 8 1 83 445.536 8
Mid Mid (pH 6-8) 2.80 9.38 -49.99 1 8 1 83 445.536 8

Activity (Go SEA)

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