UCSF

ZINC20496005

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 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) 4.47 4.75 -17.97 1 7 0 86 373.796 6
Mid Mid (pH 6-8) 3.99 3.31 -52.69 0 7 -1 93 372.788 6

Activity (Go SEA)

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