UCSF

ZINC34943851

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) 4.94 14 -73.68 1 5 0 65 434.58 7
Lo Low (pH 4.5-6) 4.94 13.12 -47.46 2 5 1 62 435.588 7

Activity (Go SEA)

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