UCSF

ZINC30986596

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 26 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) 3.68 8.26 -18.24 2 6 0 84 383.454 5
Hi High (pH 8-9.5) 3.74 7.17 -56.89 1 6 -1 90 382.446 5

Activity (Go SEA)

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