UCSF

ZINC37841858

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) -1.10 4.57 -47.69 2 7 1 74 294.379 3
Hi High (pH 8-9.5) -1.10 2.17 -13.83 1 7 0 73 293.371 3

Activity (Go SEA)

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