UCSF

ZINC43477503

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 13 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) 1.57 3.08 -57.29 3 3 1 61 197.645 3
Hi High (pH 8-9.5) 1.57 2.67 -9.81 2 3 0 59 196.637 3

Activity (Go SEA)

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