UCSF

ZINC29143154

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 29 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) 2.70 6.71 -21 1 8 0 98 419.865 9
Hi High (pH 8-9.5) 3.16 5.66 -51.91 0 8 -1 101 418.857 9
Lo Low (pH 4.5-6) 2.71 9.22 -66.4 2 8 1 99 420.873 9

Activity (Go SEA)

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