UCSF

ZINC34934465

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 3.80 9.08 -56.59 0 6 -1 87 431.251 5
Lo Low (pH 4.5-6) 3.80 8.33 -13.23 1 6 0 84 432.259 5

Activity (Go SEA)

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