UCSF

ZINC02791697

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 34 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) 5.37 12.66 -54.22 1 7 -1 70 493.579 9
Mid Mid (pH 6-8) 4.64 12.59 -14.09 2 7 0 73 494.587 9

Activity (Go SEA)

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