UCSF

ZINC44625586

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 0.42 5.53 -45.89 2 4 1 47 181.263 4
Hi High (pH 8-9.5) 0.42 4.19 -10.59 1 4 0 43 180.255 4

Activity (Go SEA)

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