UCSF

ZINC37044480

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 No

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 5.13 -38.48 3 3 1 46 245.412 4
Mid Mid (pH 6-8) 2.35 3.81 -5.03 2 3 0 41 244.404 4

Activity (Go SEA)

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