UCSF

ZINC34948602

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 31 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) 4.79 10.14 -12.24 1 5 0 45 455.908 8
Mid Mid (pH 6-8) 4.79 12.4 -49.57 2 5 1 46 456.916 8

Activity (Go SEA)

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