UCSF

ZINC36199885

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) 2.31 6.09 -38.35 2 3 1 37 245.412 6
Mid Mid (pH 6-8) 2.31 4.96 -8.22 1 3 0 32 244.404 6

Activity (Go SEA)

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