UCSF

ZINC44302793

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 22 Yes

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) 2.18 2.75 -14.5 1 6 0 81 312.354 4
Hi High (pH 8-9.5) 2.25 0.6 -50.45 0 6 -1 87 311.346 4

Activity (Go SEA)

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