UCSF

ZINC08412448

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 27 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) 1.79 7.26 -56.67 0 6 -1 83 365.409 7
Lo Low (pH 4.5-6) 1.79 -0.26 -50.84 2 6 1 80 367.425 7
Lo Low (pH 4.5-6) 1.21 -0.49 -11.61 0 6 0 76 366.417 7
Lo Low (pH 4.5-6) 1.79 6.51 -12.95 1 6 0 80 366.417 7

Activity (Go SEA)

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