UCSF

ZINC36199975

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 2.05 6.19 -37.83 2 3 1 37 245.412 5
Mid Mid (pH 6-8) 2.05 4.99 -7.94 1 3 0 32 244.404 5

Activity (Go SEA)

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