UCSF

ZINC43408717

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) 1.74 5.03 -10.19 2 5 0 61 309.435 8
Mid Mid (pH 6-8) 1.74 5.31 -27.29 3 5 1 62 310.443 8

Activity (Go SEA)

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