UCSF

ZINC36125285

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 24 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) 2.85 6.48 -43.09 1 5 1 45 374.596 7
Mid Mid (pH 6-8) 2.85 8.5 -110.05 2 5 2 46 375.604 7
Mid Mid (pH 6-8) 2.85 6.01 -42.47 1 5 1 45 374.596 7

Activity (Go SEA)

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