UCSF

ZINC40417756

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 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) 4.58 11.12 -8.91 0 2 0 18 264.372 4
Lo Low (pH 4.5-6) 4.58 11.62 -25.19 1 2 1 19 265.38 4

Activity (Go SEA)

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