UCSF

ZINC16739216

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 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) 6.88 14.26 -10.91 0 3 0 34 384.504 3
Lo Low (pH 4.5-6) 6.88 14.49 -23.62 1 3 1 36 385.512 3
Lo Low (pH 4.5-6) 6.88 13.36 -25.25 1 3 1 36 385.512 3

Activity (Go SEA)

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