UCSF

ZINC34990347

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 29 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) 1.83 5.51 -59.69 0 8 -1 92 429.503 2
Lo Low (pH 4.5-6) 1.37 7.54 -15.88 1 8 0 89 430.511 2

Activity (Go SEA)

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