UCSF

ZINC43460946

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) 3.18 4.83 -10.12 3 4 0 68 307.126 1
Mid Mid (pH 6-8) 3.18 4.41 -36.53 2 4 -1 66 306.118 1

Activity (Go SEA)

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