UCSF

ZINC12378110

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2008 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) 3.47 0.32 -10.13 0 4 0 44 264.35 3
Mid Mid (pH 6-8) 3.47 5.51 -11.05 0 4 0 44 264.35 3

Activity (Go SEA)

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