UCSF

ZINC42464008

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 0.98 3.6 -39 3 3 1 40 213.345 3
Hi High (pH 8-9.5) 0.98 3.16 -1.26 2 3 0 38 212.337 3
Mid Mid (pH 6-8) 0.98 5.13 -27.7 3 3 1 40 213.345 3

Activity (Go SEA)

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