UCSF

ZINC36637029

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 1.54 3.73 -19.94 2 10 0 114 445.549 9
Mid Mid (pH 6-8) 1.54 5.99 -58.18 3 10 1 115 446.557 9

Activity (Go SEA)

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