UCSF

ZINC26163427

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 23 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) 1.86 5.16 -49.32 4 5 1 78 315.393 8
Mid Mid (pH 6-8) 1.86 3.95 -14.68 3 5 0 74 314.385 8

Activity (Go SEA)

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