UCSF

ZINC13548471

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 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) 3.26 7.24 -65.03 1 8 -1 108 468.526 10
Mid Mid (pH 6-8) 2.67 7.5 -14.66 1 8 0 102 469.534 10
Lo Low (pH 4.5-6) 3.26 6.42 -18.94 2 8 0 106 469.534 10

Activity (Go SEA)

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