UCSF

ZINC10895434

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2007 31 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) 4.83 0.43 -14.71 1 5 0 56 411.505 7
Mid Mid (pH 6-8) 4.83 0.65 -37.68 2 5 1 57 412.513 7

Activity (Go SEA)

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