UCSF

ZINC34684081

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 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) 3.01 12.91 -52.59 1 6 1 54 450.603 8
Mid Mid (pH 6-8) 3.01 12.92 -49.05 1 6 1 54 450.603 8
Mid Mid (pH 6-8) 3.01 10.65 -13.51 0 6 0 53 449.595 8

Activity (Go SEA)

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