UCSF

ZINC21755990

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 34 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) 3.87 6.06 -16.74 1 8 0 102 504.561 5
Mid Mid (pH 6-8) 3.87 6.07 -55.3 0 8 -1 104 503.553 5

Activity (Go SEA)

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