UCSF

ZINC62952199

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 13 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) 1.37 4.67 -117.91 4 2 2 32 186.343 3
Hi High (pH 8-9.5) 1.37 2.88 -39.17 3 2 1 31 185.335 3
Mid Mid (pH 6-8) 1.37 4.25 -27.38 3 2 1 30 185.335 3

Activity (Go SEA)

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