UCSF

ZINC36234078

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 14 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) -0.99 -0.71 -45.13 5 5 1 90 194.214 2
Mid Mid (pH 6-8) -0.99 -1.07 -15.72 4 5 0 88 193.206 2

Activity (Go SEA)

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