UCSF

ZINC01209542

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2004 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) 2.52 10.78 -51.92 0 7 -1 106 365.365 6
Mid Mid (pH 6-8) 2.51 0.85 -23.7 1 7 0 103 366.373 5
Mid Mid (pH 6-8) 1.93 1.07 -25.35 0 7 0 100 366.373 6

Activity (Go SEA)

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