UCSF

ZINC13734459

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 21 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) 4.46 8.91 -33.76 2 3 1 26 423.213 10
Mid Mid (pH 6-8) 4.46 8.16 -42.7 2 3 1 29 423.213 10

Activity (Go SEA)

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