UCSF

ZINC01514754

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 21 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) 1.90 -1.37 -9.41 1 6 0 72 325.155 2
Mid Mid (pH 6-8) -1.64 -1.09 -38.25 2 6 1 74 326.163 2

Activity (Go SEA)

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