UCSF

ZINC34877134

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.87 10.04 -16.08 0 6 0 53 461.603 10
Mid Mid (pH 6-8) 2.87 12.44 -55.76 1 6 1 54 462.611 10

Activity (Go SEA)

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