UCSF

ZINC42372916

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 13 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) 1.99 5.69 -33.3 1 2 1 8 205.753 5
Hi High (pH 8-9.5) 1.99 3.43 -2.15 0 2 0 6 204.745 5
Mid Mid (pH 6-8) 1.99 5.7 -36.09 1 2 1 8 205.753 5

Activity (Go SEA)

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