UCSF

ZINC05154712

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 29 Yes

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) 4.12 5.34 -46.36 1 7 -1 100 413.454 8
Mid Mid (pH 6-8) 4.12 -2.35 -19.79 2 7 0 97 414.462 8

Activity (Go SEA)

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