UCSF

ZINC34872249

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 29 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) 2.07 1.8 -17.69 1 7 0 87 445.513 7
Lo Low (pH 4.5-6) 2.07 4.02 -54.54 2 7 1 88 446.521 7

Activity (Go SEA)

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