UCSF

ZINC59620443

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 39 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) 4.82 14.74 -24.76 0 10 0 114 532.597 12
Mid Mid (pH 6-8) 0.91 15.17 -27.2 1 10 1 112 533.605 13

Activity (Go SEA)

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