UCSF

ZINC37797791

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.29 2.89 -45.89 4 5 1 71 278.376 4
Hi High (pH 8-9.5) 1.29 2.59 -7.99 3 5 0 70 277.368 4

Activity (Go SEA)

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