UCSF

ZINC68256192

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2011 23 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) 3.81 11.4 -49.63 1 3 1 25 309.433 3
Hi High (pH 8-9.5) 3.81 8.93 -9.67 0 3 0 24 308.425 3

Activity (Go SEA)

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