UCSF

ZINC62807514

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 16 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) 2.21 7.16 -50.69 2 3 1 34 218.324 5
Mid Mid (pH 6-8) 2.21 7.45 -87.64 3 3 2 36 219.332 5

Activity (Go SEA)

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