UCSF

ZINC31959525

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 0.63 1.46 -60.97 5 7 1 108 333.393 3
Hi High (pH 8-9.5) 1.19 0.39 -16 4 7 0 110 332.385 2
Mid Mid (pH 6-8) 0.44 0.39 -46.79 4 7 0 114 332.385 3

Activity (Go SEA)

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