UCSF

ZINC44260108

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 20 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) 2.18 2.49 -37.66 2 5 -1 87 294.331 3
Mid Mid (pH 6-8) 2.18 2.32 -7.74 3 5 0 85 295.339 3

Activity (Go SEA)

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