UCSF

ZINC37120767

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 Yes

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) 3.54 6.27 -54.64 2 4 -1 72 270.308 4
Lo Low (pH 4.5-6) 3.54 4.3 -9.41 3 4 0 70 271.316 4

Activity (Go SEA)

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