UCSF

ZINC31945860

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 13 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) 2.44 7.16 -40.21 1 2 1 28 181.303 2
Hi High (pH 8-9.5) 2.44 5.27 -4 0 2 0 27 180.295 2

Activity (Go SEA)

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