UCSF

ZINC01429433

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 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) 4.47 11.37 -18.49 1 4 0 47 391.421 6
Lo Low (pH 4.5-6) 4.47 11.66 -40.91 2 4 1 48 392.429 6

Activity (Go SEA)

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