UCSF

ZINC21784110

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 29 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) 2.82 4.36 -17.94 4 7 0 115 413.43 4
Hi High (pH 8-9.5) 3.28 3.24 -48.12 3 7 -1 118 412.422 4

Activity (Go SEA)

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