UCSF

ZINC13704060

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 19 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) -0.94 -2.36 -15.29 3 7 0 105 333.138 3
Hi High (pH 8-9.5) -0.48 -5.11 -56.71 2 7 -1 108 332.13 3

Activity (Go SEA)

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