UCSF

ZINC04420457

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 25 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) 1.17 5.4 -104.17 2 8 -2 138 356.419 16
Lo Low (pH 4.5-6) 1.17 4.28 -62.86 3 8 -1 136 357.427 16

Activity (Go SEA)

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