UCSF

ZINC36756869

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) 0.12 6.56 -53.72 1 6 0 78 263.297 3
Mid Mid (pH 6-8) 0.12 4.29 -46.01 0 6 -1 77 262.289 3

Activity (Go SEA)

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