UCSF

ZINC63648855

Substance Information

In ZINC since Heavy atoms Benign functionality
June 3rd, 2011 28 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) 3.74 12.22 -29.21 1 5 1 41 377.512 5
Mid Mid (pH 6-8) 3.74 14.57 -99.97 2 5 2 42 378.52 5

Activity (Go SEA)

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