UCSF

ZINC36381734

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 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) 3.65 9.96 -6.96 1 6 0 63 373.497 9
Mid Mid (pH 6-8) 3.66 10.94 -34.35 2 6 1 65 374.505 9

Activity (Go SEA)

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