UCSF

ZINC38590741

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 17 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) -0.09 -4.73 -9.99 5 6 0 105 241.243 3
Lo Low (pH 4.5-6) -0.09 -4.86 -48.52 6 6 1 107 242.251 3

Activity (Go SEA)

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