UCSF

ZINC08742873

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 35 No

Other Names:

MFCD03305118

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) 5.94 12.44 -63.13 0 6 -1 79 478.609 11
Mid Mid (pH 6-8) 5.36 1.44 -11.76 0 6 0 72 479.617 11
Lo Low (pH 4.5-6) 5.94 11.62 -15.41 1 6 0 76 479.617 11

Activity (Go SEA)

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