UCSF

ZINC36743195

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 20 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) 2.52 2.63 -31.71 2 6 -1 100 424.094 3
Mid Mid (pH 6-8) 2.52 2.76 -8.04 3 6 0 98 425.102 3

Activity (Go SEA)

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