UCSF

ZINC34755845

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 24 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) 4.94 11.86 -43.29 1 4 1 33 363.576 4
Mid Mid (pH 6-8) 4.94 9.64 -7.12 0 4 0 32 362.568 4

Activity (Go SEA)

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