UCSF

ZINC31975501

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) 4.59 10.43 -60.71 3 3 1 45 314.412 3
Hi High (pH 8-9.5) 4.59 10.12 -12.5 2 3 0 43 313.404 3
Lo Low (pH 4.5-6) 4.59 10.87 -109.35 4 3 2 46 315.42 3

Activity (Go SEA)

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