UCSF

ZINC37098031

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.24 4.66 -122.03 4 5 2 60 284.4 8
Mid Mid (pH 6-8) 1.24 2.51 -47.65 3 5 1 59 283.392 8
Mid Mid (pH 6-8) 1.24 4.58 -33.25 3 5 1 58 283.392 8

Activity (Go SEA)

Rings

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