UCSF

ZINC13208066

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2008 21 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) 5.21 11.25 -16.37 2 3 0 37 301.459 8
Lo Low (pH 4.5-6) 5.21 11.11 -29.19 3 3 1 38 302.467 8

Activity (Go SEA)

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