UCSF

ZINC41664113

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 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) 3.51 7.89 -19.65 0 9 0 95 504.539 6
Mid Mid (pH 6-8) 3.51 10.73 -54.92 1 9 1 96 505.547 6
Mid Mid (pH 6-8) 3.51 10.16 -54.23 1 9 1 96 505.547 6
Lo Low (pH 4.5-6) 3.51 13.01 -125.73 2 9 2 97 506.555 6

Activity (Go SEA)

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