UCSF

ZINC12371915

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 21 No

Download: MOL2 SDF SMILES Flexibase

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) 4.17 8.14 -53.24 0 3 -1 52 294.355 2
Mid Mid (pH 6-8) 4.17 7.6 -54.63 0 3 -1 52 294.355 2
Mid Mid (pH 6-8) 4.17 7.27 -10.64 1 3 0 50 295.363 2
Mid Mid (pH 6-8) 4.17 6.78 -11.24 1 3 0 50 295.363 2

Activity (Go SEA)

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