UCSF

ZINC34943649

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 32 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) 5.16 12.53 -62.46 0 5 -1 70 434.556 8
Lo Low (pH 4.5-6) 5.16 11.64 -12.09 1 5 0 67 435.564 8

Activity (Go SEA)

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