UCSF

ZINC12244372

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2008 32 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) 2.33 1.02 -18.31 0 6 0 61 436.483 8
Lo Low (pH 4.5-6) 2.33 1.13 -60.48 1 6 1 62 437.491 8

Activity (Go SEA)

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