UCSF

ZINC52417947

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 12 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) 2.17 5.99 -100.09 3 2 2 21 174.332 7
Hi High (pH 8-9.5) 2.17 4.55 -30.73 2 2 1 16 173.324 7

Activity (Go SEA)

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