UCSF

ZINC34671995

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 27 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) 2.94 9.07 -14.63 1 6 0 66 366.465 4
Lo Low (pH 4.5-6) 2.94 9.51 -42.38 2 6 1 67 367.473 4

Activity (Go SEA)

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