UCSF

ZINC65999466

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2011 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.99 7.92 -12.23 1 6 0 82 385.441 7
Mid Mid (pH 6-8) 4.06 6.48 -54.01 0 6 -1 85 384.433 7

Activity (Go SEA)

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