UCSF

ZINC15920051

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) 2.59 4.71 -59.7 1 6 -1 90 431.262 6
Mid Mid (pH 6-8) 3.03 3.62 -32.4 2 6 0 87 432.27 5
Mid Mid (pH 6-8) 2.00 4.59 -27.07 1 6 0 84 432.27 6

Activity (Go SEA)

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