UCSF

ZINC28007152

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 19 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) -2.50 3.45 -119.78 3 7 -1 128 271.293 7
Hi High (pH 8-9.5) -2.50 3.12 -120.79 2 7 -2 127 270.285 7
Lo Low (pH 4.5-6) -2.50 2.33 -88.42 4 7 0 125 272.301 7

Activity (Go SEA)

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