UCSF

ZINC09186553

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2007 34 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) 2.02 6.22 -58.91 0 8 -1 91 469.489 8
Mid Mid (pH 6-8) 2.46 8.32 -50.76 2 8 1 90 471.505 7
Mid Mid (pH 6-8) 1.43 0.32 -52.36 1 8 1 86 471.505 8
Mid Mid (pH 6-8) 2.02 8.62 -75.38 1 8 0 93 470.497 8

Activity (Go SEA)

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