UCSF

ZINC37020408

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) -0.41 1.63 -94.52 5 6 2 79 288.417 4
Mid Mid (pH 6-8) -0.41 -1.75 -14.16 3 6 0 73 286.401 4
Mid Mid (pH 6-8) -0.41 0.43 -46.36 4 6 1 75 287.409 4

Activity (Go SEA)

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