UCSF

ZINC40175664

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 16 No

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) 2.59 6.86 -47.5 0 3 -1 39 232.284 3
Lo Low (pH 4.5-6) 2.03 7.36 -22.22 1 3 0 42 233.292 3

Activity (Go SEA)

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