UCSF

ZINC37840517

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) 2.03 4.71 -13.62 1 5 0 70 306.387 6
Hi High (pH 8-9.5) 2.48 2.8 -47.2 0 5 -1 73 305.379 6

Activity (Go SEA)

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