UCSF

ZINC34667675

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 32 Yes

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) 4.08 11.09 -14.18 1 6 0 66 473.335 4
Mid Mid (pH 6-8) 4.08 11.44 -45.6 2 6 1 67 474.343 4

Activity (Go SEA)

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