UCSF

ZINC25188488

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 27 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) 2.50 7.63 -57.69 3 6 1 72 368.457 8
Hi High (pH 8-9.5) 2.50 5.53 -25.32 2 6 0 71 367.449 8

Activity (Go SEA)

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