UCSF

ZINC37869846

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.72 0.9 -43.71 4 5 1 78 257.697 3
Mid Mid (pH 6-8) 0.72 -0.27 -9.82 3 5 0 74 256.689 3

Activity (Go SEA)

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