UCSF

ZINC60250216

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 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) 2.69 9.24 -52.66 2 10 1 114 491.638 11
Hi High (pH 8-9.5) 3.15 4.98 -59.83 0 10 -1 116 489.622 11
Mid Mid (pH 6-8) 3.15 7.44 -61.53 1 10 0 117 490.63 11

Activity (Go SEA)

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