UCSF

ZINC37988183

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) -0.74 -1.83 -7.7 3 7 0 100 212.209 3
Hi High (pH 8-9.5) -0.29 -3.5 -36.78 2 7 -1 103 211.201 3

Activity (Go SEA)

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