UCSF

ZINC39967944

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 33 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) 3.82 11.52 -18 1 9 0 108 510.041 11
Hi High (pH 8-9.5) 4.01 10.08 -44.12 0 9 -1 115 509.033 11

Activity (Go SEA)

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