UCSF

ZINC42446030

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 2.34 5.8 -99.42 5 3 2 56 213.369 6
Hi High (pH 8-9.5) 2.34 3.99 -31 4 3 1 55 212.361 6

Activity (Go SEA)

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