UCSF

ZINC43697527

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 21 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) 2.57 7.99 -16.43 1 5 0 58 302.403 2
Hi High (pH 8-9.5) 2.20 6.72 -50.23 0 5 -1 64 301.395 3

Activity (Go SEA)

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