UCSF

ZINC15920059

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 29 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) 2.21 4.33 -62.68 1 7 -1 99 396.419 8
Mid Mid (pH 6-8) 2.66 3.63 -26.03 2 7 0 96 397.427 7
Mid Mid (pH 6-8) 1.63 4.61 -18.93 1 7 0 93 397.427 8

Activity (Go SEA)

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