UCSF

ZINC02785830

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 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) 4.10 9.92 -14.83 0 6 0 64 413.477 2
Lo Low (pH 4.5-6) 4.10 10.18 -29.93 1 6 1 66 414.485 2

Activity (Go SEA)

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