UCSF

ZINC09472406

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) 3.60 2.7 -18.47 1 7 0 89 465.477 8
Mid Mid (pH 6-8) 3.01 2.53 -24.29 0 7 0 86 465.477 8

Activity (Go SEA)

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