UCSF

ZINC26142858

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 25 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) 1.93 5.04 -15.17 1 6 0 66 453.28 5
Mid Mid (pH 6-8) 1.93 7.37 -58.32 2 6 1 67 454.288 5

Activity (Go SEA)

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