UCSF

ZINC16740328

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 32 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) 5.89 12.88 -12.07 2 4 0 58 457.883 7
Lo Low (pH 4.5-6) 5.89 13.03 -39.53 3 4 1 59 458.891 7

Activity (Go SEA)

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