UCSF

ZINC42953042

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 17 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) 0.67 -0.03 -54.44 5 4 1 74 301.208 5
Mid Mid (pH 6-8) 0.67 2.75 -121.84 6 4 2 75 302.216 5

Activity (Go SEA)

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