UCSF

ZINC12501094

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 22 No

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) 0.08 2.06 -24.27 4 10 0 138 345.277 1
Lo Low (pH 4.5-6) 0.08 2.32 -59.4 5 10 1 139 346.285 1
Lo Low (pH 4.5-6) 0.08 -2.05 -55.36 5 10 1 139 346.285 1

Activity (Go SEA)

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