UCSF

ZINC35017318

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 35 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) 2.38 10.54 -42.43 1 12 -1 157 508.529 11
Mid Mid (pH 6-8) 3.13 11.66 -20.73 2 12 0 150 509.537 12

Activity (Go SEA)

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