UCSF

ZINC43462016

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 1.01 2.18 -44.21 3 3 1 45 154.237 2
Hi High (pH 8-9.5) 1.01 1.91 -4.62 2 3 0 44 153.229 2

Activity (Go SEA)

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