UCSF

ZINC42902309

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 0.63 3.63 -103.7 5 4 2 61 263.385 4
Mid Mid (pH 6-8) 0.63 1.63 -36.32 4 4 1 60 262.377 4
Mid Mid (pH 6-8) 0.63 3.33 -34.93 4 4 1 60 262.377 4

Activity (Go SEA)

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