UCSF

ZINC39229647

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 27 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) 2.90 10.05 -42.7 2 5 1 59 363.416 4
Mid Mid (pH 6-8) 2.90 9.6 -12.42 1 5 0 58 362.408 4
Lo Low (pH 4.5-6) 2.90 10.58 -95.95 3 5 2 61 364.424 4

Activity (Go SEA)

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