UCSF

ZINC35121029

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 15 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) 2.74 6.41 -25.32 2 3 1 39 202.281 4
Mid Mid (pH 6-8) 2.74 6.3 -9.59 1 3 0 38 201.273 4

Activity (Go SEA)

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