UCSF

ZINC12370137

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 26 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) 5.00 1.8 -8.53 0 5 0 65 355.434 8
Mid Mid (pH 6-8) 5.00 1.54 -7.92 0 5 0 65 355.434 8
Mid Mid (pH 6-8) 5.18 0.52 -8.09 0 5 0 65 355.434 8

Activity (Go SEA)

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