UCSF

ZINC31959653

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) 2.17 4.56 -57.46 4 5 1 79 306.411 6
Hi High (pH 8-9.5) 2.73 3.48 -12.09 3 5 0 80 305.403 5
Mid Mid (pH 6-8) 1.99 3.49 -46.01 3 5 0 85 305.403 6

Activity (Go SEA)

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