UCSF

ZINC34944485

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 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) 3.25 9.23 -63.08 0 8 -1 99 477.537 8
Mid Mid (pH 6-8) 3.25 11.5 -72.91 1 8 0 100 478.545 8
Lo Low (pH 4.5-6) 3.25 10.6 -52.26 2 8 1 98 479.553 8

Activity (Go SEA)

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