UCSF

ZINC12420326

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 33 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) 4.29 11.74 -10.07 1 6 0 71 463.534 6
Mid Mid (pH 6-8) 4.29 10.82 -11 1 6 0 71 463.534 6

Activity (Go SEA)

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