UCSF

ZINC28839072

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 26 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) 2.70 5.49 -49.04 3 6 1 80 384.566 10
Hi High (pH 8-9.5) 2.70 3.42 -15.51 2 6 0 79 383.558 10

Activity (Go SEA)

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