UCSF

ZINC03013295

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 18 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) 2.59 0.47 -7.22 0 4 0 51 258.664 1
Lo Low (pH 4.5-6) 2.59 0.58 -34.56 1 4 1 53 259.672 1

Activity (Go SEA)

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