UCSF

ZINC58304451

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 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 10.29 -36.58 1 5 1 51 361.416 3
Mid Mid (pH 6-8) 2.51 9.82 -15.01 0 5 0 49 360.408 3

Activity (Go SEA)

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