UCSF

ZINC59191815

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 28 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) 3.82 9.24 -31.5 3 5 1 60 371.464 8
Mid Mid (pH 6-8) 3.82 8.79 -11.91 2 5 0 59 370.456 8
Lo Low (pH 4.5-6) 3.82 9.71 -74.98 4 5 2 62 372.472 8

Activity (Go SEA)

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