UCSF

ZINC31959865

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 0.75 2.61 -59.54 4 6 1 88 306.367 3
Hi High (pH 8-9.5) 1.31 1.53 -13.65 3 6 0 90 305.359 2
Mid Mid (pH 6-8) 0.56 1.54 -49.34 3 6 0 94 305.359 3

Activity (Go SEA)

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