UCSF

ZINC19437681

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 18 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) 3.01 6.72 -53.57 1 4 -1 69 254.35 8
Lo Low (pH 4.5-6) 3.01 5.6 -15.74 2 4 0 66 255.358 8

Activity (Go SEA)

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