UCSF

ZINC09460749

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 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) 5.14 12.99 -70.54 1 6 0 74 505.442 10
Mid Mid (pH 6-8) 5.59 12.59 -44.37 2 6 1 71 506.45 9

Activity (Go SEA)

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