UCSF

ZINC47830351

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2010 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) 1.61 2.21 -38.5 0 5 -1 75 246.239 4
Mid Mid (pH 6-8) 1.61 2.15 -10.23 1 5 0 72 247.247 4

Activity (Go SEA)

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