UCSF

ZINC19790592

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 22 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) 1.91 6.61 -39.75 2 5 1 61 319.454 4
Mid Mid (pH 6-8) 1.91 4.32 -8.05 1 5 0 59 318.446 4
Mid Mid (pH 6-8) 1.91 6.51 -44.14 2 5 1 61 319.454 4

Activity (Go SEA)

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