UCSF

ZINC09354016

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 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) 3.19 9.14 -60.27 0 8 -1 105 464.494 9
Mid Mid (pH 6-8) 2.61 0.63 -16.05 0 8 0 99 465.502 9
Mid Mid (pH 6-8) 3.64 9.91 -15.44 1 8 0 102 465.502 8

Activity (Go SEA)

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