UCSF

ZINC43410960

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 1.62 4.11 -12.49 3 5 0 72 309.435 6
Mid Mid (pH 6-8) 1.62 4.59 -31.92 4 5 1 73 310.443 6

Activity (Go SEA)

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