UCSF

ZINC17161455

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 28 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) 2.87 7.75 -37.29 0 6 -1 79 380.42 7
Mid Mid (pH 6-8) 3.31 6.65 -25.88 1 6 0 76 381.428 6

Activity (Go SEA)

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