UCSF

ZINC06537740

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 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) 4.92 10.94 -11.64 1 6 0 81 414.461 8
Hi High (pH 8-9.5) 5.10 9.21 -50.69 0 6 -1 87 413.453 8

Activity (Go SEA)

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