UCSF

ZINC37996651

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 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) 0.20 -0.34 -16.28 2 7 0 99 287.341 6
Hi High (pH 8-9.5) 0.66 -2.28 -56.14 1 7 -1 102 286.333 6

Activity (Go SEA)

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