UCSF

ZINC48442177

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2010 20 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) 3.09 3.12 -39.36 0 5 -1 70 311.77 4
Mid Mid (pH 6-8) 3.09 3.1 -10.04 1 5 0 68 312.778 4

Activity (Go SEA)

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