UCSF

ZINC18129059

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 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) 2.07 6.08 -55.88 0 8 -1 97 412.418 7
Mid Mid (pH 6-8) 1.48 6.1 -15.17 0 8 0 91 413.426 7
Lo Low (pH 4.5-6) 2.07 4.78 -19.98 1 8 0 95 413.426 7

Activity (Go SEA)

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