UCSF

ZINC39749614

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 32 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) 5.82 12.19 -18.33 1 7 0 82 506.44 8
Hi High (pH 8-9.5) 6.00 10.78 -51.23 0 7 -1 88 505.432 8

Activity (Go SEA)

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