UCSF

ZINC42450239

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 21 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) 0.72 4.79 -59 4 6 1 93 291.375 8
Mid Mid (pH 6-8) 0.72 2.65 -14.22 3 6 0 91 290.367 8

Activity (Go SEA)

Rings

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