UCSF

ZINC09189961

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 36 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) 1.99 1.07 -25.09 2 9 0 116 484.512 6
Lo Low (pH 4.5-6) 1.99 1.18 -52.28 3 9 1 118 485.52 6

Activity (Go SEA)

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