UCSF

ZINC18106322

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 25 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) 2.98 11.63 -36.97 3 6 1 77 332.387 3
Ref Reference (pH 7) 2.64 12.51 -22.88 1 6 0 72 331.379 3
Mid Mid (pH 6-8) 2.64 12.82 -38.53 2 6 1 74 332.387 3
Mid Mid (pH 6-8) 3.16 12.15 -94.44 4 6 2 82 333.395 3
Mid Mid (pH 6-8) 3.16 11.12 -34.07 2 6 1 77 332.387 3

Activity (Go SEA)

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