UCSF

ZINC43982996

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 3.78 8.13 -38.91 2 2 1 20 301.376 8
Hi High (pH 8-9.5) 3.78 7.1 -2.84 1 2 0 15 300.368 8

Activity (Go SEA)

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