UCSF

ZINC48235822

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 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) 2.31 10.73 -20.67 0 8 0 86 488.588 9
Mid Mid (pH 6-8) 2.31 13 -55.38 1 8 1 87 489.596 9

Activity (Go SEA)

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