UCSF

ZINC36698126

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 6.63 9.76 -15.27 1 6 0 81 486.018 4
Mid Mid (pH 6-8) 6.63 9.78 -49.65 0 6 -1 83 485.01 4

Activity (Go SEA)

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