UCSF

ZINC05799610

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2006 31 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) 2.97 9.17 -63.64 0 6 -1 83 413.453 7
Mid Mid (pH 6-8) 3.42 -0.32 -20.57 1 6 0 79 414.461 6
Lo Low (pH 4.5-6) 3.42 0.18 -39.34 2 6 1 80 415.469 6

Activity (Go SEA)

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