UCSF

ZINC53157479

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 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) 2.73 5.11 -52.18 3 3 1 46 290.786 8
Hi High (pH 8-9.5) 2.73 3.7 -7.12 2 3 0 41 289.778 8

Activity (Go SEA)

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