UCSF

ZINC04156258

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 25 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) 2.63 -1.88 -12.99 1 6 0 73 362.451 8
Mid Mid (pH 6-8) 2.63 -1.64 -35.56 2 6 1 74 363.459 8

Activity (Go SEA)

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