UCSF

ZINC16734159

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 33 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) 4.92 10.74 -62.34 0 6 -1 79 468.957 9
Mid Mid (pH 6-8) 5.37 9.58 -31.1 1 6 0 76 469.965 8
Mid Mid (pH 6-8) 4.34 10.61 -22.93 0 6 0 73 469.965 9

Activity (Go SEA)

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