UCSF

ZINC52851229

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 20 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) 3.15 8.52 -10.95 0 3 0 24 288.416 5
Lo Low (pH 4.5-6) 3.15 9.27 -25.04 1 3 0 25 289.424 5

Activity (Go SEA)

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