UCSF

ZINC37405136

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 1.74 4.59 -46.51 2 3 1 39 204.249 1
Hi High (pH 8-9.5) 1.74 3.22 -7.32 1 3 0 34 203.241 1

Activity (Go SEA)

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