UCSF

ZINC44684474

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 1.69 4.24 -42.14 3 3 1 40 261.389 5
Lo Low (pH 4.5-6) 1.69 5.88 -33.62 3 3 1 37 261.389 5
Lo Low (pH 4.5-6) 1.69 6.66 -116.19 4 3 2 41 262.397 5

Activity (Go SEA)

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