UCSF

ZINC37979101

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 21 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) 2.35 6.62 -87.05 3 4 2 34 313.873 7
Mid Mid (pH 6-8) 2.35 6.51 -106.56 3 4 2 34 313.873 7
Mid Mid (pH 6-8) 2.35 4.24 -40.23 2 4 1 32 312.865 7

Activity (Go SEA)

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