UCSF

ZINC29392528

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 26 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) 2.51 9.37 -33.64 1 8 0 111 391.43 7
Mid Mid (pH 6-8) 2.58 8.45 -56.56 0 8 -1 118 390.422 7

Activity (Go SEA)

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