UCSF

ZINC42321797

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 16 Yes

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) -0.13 7.2 -165.79 5 4 3 51 225.36 5
Hi High (pH 8-9.5) -0.13 4.46 -49.09 3 4 1 49 223.344 5
Mid Mid (pH 6-8) -0.13 6.69 -110.48 4 4 2 50 224.352 5

Activity (Go SEA)

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