UCSF

ZINC35841576

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 31 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) 1.77 8.91 -48.28 1 7 1 67 420.537 8
Mid Mid (pH 6-8) 1.77 8.89 -47.86 1 7 1 67 420.537 8
Mid Mid (pH 6-8) 1.77 6.64 -10.15 0 7 0 66 419.529 8
Lo Low (pH 4.5-6) 1.77 9.38 -99.55 2 7 2 68 421.545 8

Activity (Go SEA)

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