UCSF

ZINC00593437

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 28 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) 5.18 -4.07 -12.63 1 5 0 68 414.552 6
Hi High (pH 8-9.5) 5.18 -3.5 -46.39 0 5 -1 70 413.544 6

Activity (Go SEA)

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