UCSF

ZINC16805749

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2008 34 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) 3.51 10.21 -56 0 8 -1 105 464.494 12
Mid Mid (pH 6-8) 3.95 8.33 -31.82 1 8 0 102 465.502 11
Mid Mid (pH 6-8) 2.92 9.31 -27.51 0 8 0 99 465.502 12

Activity (Go SEA)

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