UCSF

ZINC50672570

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2010 21 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) -0.25 -1.31 -49.43 3 11 -1 171 312.291 5
Lo Low (pH 4.5-6) -0.25 -1.31 -17.97 4 11 0 172 313.299 5

Activity (Go SEA)

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