UCSF

ZINC03935792

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 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) 5.74 12.73 -41.72 0 4 -1 74 413.578 8
Mid Mid (pH 6-8) 5.16 12.73 -10.35 0 4 0 68 414.586 9

Activity (Go SEA)

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