UCSF

ZINC34830743

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.86 10.31 -23.22 0 7 0 62 461.541 5
Mid Mid (pH 6-8) 2.86 12.53 -60 1 7 1 63 462.549 5

Activity (Go SEA)

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