UCSF

ZINC45694137

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 17 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) 1.51 1.61 -5.6 3 5 0 71 243.351 4
Mid Mid (pH 6-8) 1.51 2.65 -32.5 4 5 1 72 244.359 4

Activity (Go SEA)

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