UCSF

ZINC34934462

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 28 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) 3.58 8.22 -56.66 0 6 -1 87 417.224 5
Lo Low (pH 4.5-6) 3.58 7.47 -14.01 1 6 0 84 418.232 5

Activity (Go SEA)

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