UCSF

ZINC37079680

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.10 5.64 -128.42 4 4 2 51 329.238 5
Mid Mid (pH 6-8) 2.10 3.33 -52.72 3 4 1 49 328.23 5
Mid Mid (pH 6-8) 2.10 5.74 -34.27 3 4 1 49 328.23 5

Activity (Go SEA)

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