UCSF

ZINC44236556

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 6 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) -2.28 -3.06 -98.84 7 3 2 67 91.158 3
Mid Mid (pH 6-8) -2.28 -2.87 -42.21 6 3 1 66 90.15 3

Activity (Go SEA)

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