UCSF

ZINC04095160

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 25 Yes

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) 4.30 1.44 -7.64 0 5 0 64 359.447 9
Mid Mid (pH 6-8) 4.49 1.51 -6.42 0 5 0 64 359.447 9
Mid Mid (pH 6-8) 4.49 3 -18.9 0 5 0 64 359.447 9
Mid Mid (pH 6-8) 4.30 1.43 -7.01 0 5 0 64 359.447 9

Activity (Go SEA)

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