UCSF

ZINC37859655

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 14 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) 1.09 3.67 -96.97 4 3 2 41 202.342 6
Mid Mid (pH 6-8) 1.09 4.22 -38.02 3 3 1 44 201.334 6

Activity (Go SEA)

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