UCSF

ZINC12435548

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 27 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) 4.34 12.24 -42 2 3 1 33 358.44 3
Lo Low (pH 4.5-6) 4.34 12.51 -116.12 3 3 2 34 359.448 3

Activity (Go SEA)

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