UCSF

ZINC43392389

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 4.62 9.58 -54.45 2 1 1 17 345.182 4
Hi High (pH 8-9.5) 4.62 8.5 -5.97 1 1 0 12 344.174 4

Activity (Go SEA)

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