UCSF

ZINC36672724

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 16 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) 3.38 6.16 -40.29 2 2 1 26 240.754 2
Hi High (pH 8-9.5) 3.38 5.27 -2.58 1 2 0 21 239.746 2

Activity (Go SEA)

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