UCSF

ZINC31933114

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 4.93 13.11 -43.77 1 3 1 22 308.449 4
Mid Mid (pH 6-8) 4.93 13.55 -89.41 2 3 2 23 309.457 4
Mid Mid (pH 6-8) 4.93 11.63 -9.77 0 3 0 21 307.441 4

Activity (Go SEA)

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