UCSF

ZINC01541376

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 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 -41.94 0 9 -1 122 362.325 4
Mid Mid (pH 6-8) 3.01 1.29 -54.08 2 9 1 119 364.341 4

Activity (Go SEA)

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