UCSF

ZINC09329535

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 21 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) 3.96 5.58 -9.64 1 5 0 68 300.339 3
Mid Mid (pH 6-8) 3.47 5.47 -43.84 0 5 -1 66 299.331 4

Activity (Go SEA)

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