UCSF

ZINC36871016

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 11 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) -0.85 -1.5 -40.93 4 4 1 66 161.225 5
Hi High (pH 8-9.5) -0.85 -1.84 -7.41 3 4 0 64 160.217 5

Activity (Go SEA)

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