UCSF

ZINC32597718

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2009 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.89 6.82 -42.76 0 5 -1 75 351.407 5
Mid Mid (pH 6-8) 4.44 9.68 -9.66 1 5 0 72 352.415 5
Mid Mid (pH 6-8) 4.44 8.77 -7.78 1 5 0 72 352.415 5

Activity (Go SEA)

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