UCSF

ZINC15920001

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 26 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) 3.05 5.98 -57.7 1 5 -1 81 391.23 5
Mid Mid (pH 6-8) 3.50 4.99 -27.7 2 5 0 78 392.238 4
Mid Mid (pH 6-8) 2.47 6.02 -17.18 1 5 0 75 392.238 5

Activity (Go SEA)

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