UCSF

ZINC61757436

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2011 15 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) 1.79 7.44 -32.84 1 3 1 25 215.361 6
Hi High (pH 8-9.5) 1.79 5.43 -6 0 3 0 24 214.353 6

Activity (Go SEA)

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