UCSF

ZINC49867411

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 40 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) 5.41 19.19 -64.6 0 7 -1 90 534.588 11
Mid Mid (pH 6-8) 2.97 16.97 -33.56 1 7 0 92 535.596 11

Activity (Go SEA)

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