UCSF

ZINC49086367

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 20 No

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) 2.12 6.77 -78.2 2 4 0 46 293.436 5
Mid Mid (pH 6-8) 1.39 7.11 -67.07 3 4 1 49 294.444 5

Activity (Go SEA)

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