UCSF

ZINC31889248

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 26 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) 1.93 5.32 -20.26 3 7 0 103 369.45 6
Hi High (pH 8-9.5) 2.00 4.27 -57.32 2 7 -1 109 368.442 6

Activity (Go SEA)

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