UCSF

ZINC15919912

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 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) 3.47 6.86 -59.84 1 5 -1 81 429.29 6
Mid Mid (pH 6-8) 3.92 5.76 -29.61 2 5 0 78 430.298 5
Mid Mid (pH 6-8) 2.89 6.78 -20.72 1 5 0 75 430.298 6

Activity (Go SEA)

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