UCSF

ZINC34579004

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 30 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) -4.91 -4.74 -368.23 15 10 5 143 435.73 0
Hi High (pH 8-9.5) -4.91 -11.61 -40.64 11 10 1 125 431.698 0
Mid Mid (pH 6-8) -4.91 -7.54 -251.52 14 10 4 139 434.722 0
Mid Mid (pH 6-8) -4.91 -7.49 -248.19 14 10 4 139 434.722 0

Activity (Go SEA)

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