UCSF

ZINC15940478

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 33 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) 3.60 7.81 -48.74 0 7 -1 87 471.53 8
Mid Mid (pH 6-8) 3.60 7.72 -12.92 1 7 0 85 472.538 8

Activity (Go SEA)

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