UCSF

ZINC27230159

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 23 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) 4.02 6.89 -53.85 0 5 -1 66 325.369 5
Mid Mid (pH 6-8) 4.02 7.32 -26.46 1 5 0 64 326.377 5

Activity (Go SEA)

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