UCSF

ZINC36140945

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 1.58 4.2 -44.19 2 3 1 43 204.249 0
Hi High (pH 8-9.5) 1.58 2.77 -6.73 1 3 0 38 203.241 0

Activity (Go SEA)

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