UCSF

ZINC35126455

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 27 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) 7.10 11.51 -10.26 1 4 0 58 415.301 3
Mid Mid (pH 6-8) 6.61 10.99 -46.34 0 4 -1 57 414.293 4

Activity (Go SEA)

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