UCSF

ZINC43448095

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 14 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) -1.13 3.29 -109.43 4 4 2 52 203.33 7
Mid Mid (pH 6-8) -1.13 0.96 -48.56 3 4 1 51 202.322 7

Activity (Go SEA)

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