UCSF

ZINC45697267

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 12 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) 0.78 4.04 -38.81 2 3 1 40 170.28 6
Mid Mid (pH 6-8) 0.78 5.3 -103.38 3 3 2 45 171.288 6

Activity (Go SEA)

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