UCSF

ZINC15869735

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2008 34 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) 3.08 8.13 -15.39 1 7 0 88 454.53 6
Lo Low (pH 4.5-6) 3.09 8.42 -47.57 2 7 1 90 455.538 6
Lo Low (pH 4.5-6) 2.91 7.45 -57.26 2 7 0 96 454.53 6

Activity (Go SEA)

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