UCSF

ZINC34968633

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 35 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) 2.65 8.88 -16.77 2 8 0 87 484.641 11
Mid Mid (pH 6-8) 2.65 11.14 -51.05 3 8 1 88 485.649 11

Activity (Go SEA)

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