UCSF

ZINC34981449

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 2.00 6.2 -15.05 0 6 0 75 278.308 4
Lo Low (pH 4.5-6) 2.00 8.07 -56.2 1 6 1 77 279.316 4

Activity (Go SEA)

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