UCSF

ZINC36836840

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 21 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) -0.79 7.91 -53.38 1 7 -1 100 287.299 6
Lo Low (pH 4.5-6) -0.79 8.53 -70.16 2 7 0 101 288.307 6

Activity (Go SEA)

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