UCSF

ZINC41153241

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 31 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) 4.59 16.57 -29.21 2 7 1 71 412.521 6
Hi High (pH 8-9.5) 4.59 16.28 -13.05 1 7 0 70 411.513 6

Activity (Go SEA)

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