UCSF

ZINC31961742

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 0.02 2.66 -53.85 2 7 -1 106 280.304 8
Mid Mid (pH 6-8) 0.02 3.09 -61.64 3 7 0 107 281.312 8
Lo Low (pH 4.5-6) 0.02 1.97 -36.22 4 7 1 104 282.32 8

Activity (Go SEA)

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