UCSF

ZINC01293137

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 14 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) 1.03 3.16 -52.2 2 5 -1 92 188.166 1
Lo Low (pH 4.5-6) 1.03 3.46 -54.9 3 5 0 93 189.174 1
Lo Low (pH 4.5-6) 1.03 -0.86 -60.08 3 5 0 93 189.174 1

Activity (Go SEA)

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