UCSF

ZINC37820868

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) -1.70 -2.64 -54.59 6 6 1 103 215.277 3
Hi High (pH 8-9.5) -1.70 -3.04 -13.27 5 6 0 101 214.269 3

Activity (Go SEA)

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