UCSF

ZINC18181300

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 30 No

Other Names:

MFCD03904249

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) 1.58 7.62 -14.28 0 7 0 62 411.433 3
Mid Mid (pH 6-8) 1.58 9.78 -50.67 1 7 1 64 412.441 3

Activity (Go SEA)

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