UCSF

ZINC34941352

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 38 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) 5.43 10.64 -62.16 0 7 -1 82 519.662 11
Mid Mid (pH 6-8) 5.43 12.92 -71.12 1 7 0 83 520.67 11
Lo Low (pH 4.5-6) 5.43 12.17 -51.24 2 7 1 81 521.678 11

Activity (Go SEA)

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