UCSF

ZINC49068063

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 20 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) 1.03 4.06 -45.68 2 6 1 65 302.42 10
Hi High (pH 8-9.5) 1.59 1.3 -11.91 1 6 0 67 301.412 9
Mid Mid (pH 6-8) 0.85 3.36 -36.83 1 6 0 71 301.412 10

Activity (Go SEA)

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