UCSF

ZINC33000127

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 23 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) 2.38 6.06 -15.52 1 5 0 59 315.369 7
Hi High (pH 8-9.5) 2.38 6.92 -62.9 0 5 -1 62 314.361 7

Activity (Go SEA)

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