UCSF

ZINC00606756

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 30 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) 4.81 9.67 -15.22 1 7 0 91 414.454 6
Hi High (pH 8-9.5) 4.81 10.21 -54.64 0 7 -1 94 413.446 6

Activity (Go SEA)

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