UCSF

ZINC38279817

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 30 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) 5.16 11.05 -13.18 1 5 0 45 401.51 5
Mid Mid (pH 6-8) 5.16 13.25 -53.46 2 5 1 46 402.518 5

Activity (Go SEA)

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