UCSF

ZINC43709235

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 15 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) -2.04 -2.16 -55.55 5 6 1 98 216.261 5
Hi High (pH 8-9.5) -2.04 -3.51 -15.19 4 6 0 93 215.253 5

Activity (Go SEA)

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