UCSF

ZINC08439966

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 32 No

Other Names:

MFCD03696136

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) 4.71 12.15 -40.37 0 5 -1 70 426.492 8
Mid Mid (pH 6-8) 5.16 -0.03 -27.57 1 5 0 66 427.5 7
Mid Mid (pH 6-8) 4.13 0.27 -21.86 0 5 0 63 427.5 8

Activity (Go SEA)

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