UCSF

ZINC04696379

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2005 30 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) 7.12 12.36 -10.12 1 4 0 54 414.53 5
Mid Mid (pH 6-8) 6.63 12.2 -46.19 0 4 -1 53 413.522 6

Activity (Go SEA)

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