UCSF

ZINC42277599

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 1.00 4.46 -77.41 3 4 2 28 282.476 4
Lo Low (pH 4.5-6) 1.00 6.73 -169.73 4 4 3 29 283.484 4
Lo Low (pH 4.5-6) 1.00 5.4 -79.21 3 4 2 24 282.476 4

Activity (Go SEA)

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