UCSF

ZINC06812899

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 29 No

Other Names:

MFCD03291602

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) 2.96 7.29 -61.4 0 6 -1 79 398.41 7
Mid Mid (pH 6-8) 3.41 7.1 -14.36 1 6 0 76 399.418 6

Activity (Go SEA)

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