UCSF

ZINC31978375

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 0.69 4.95 -60.57 2 5 0 74 252.314 5
Hi High (pH 8-9.5) 0.69 2.41 -54.33 1 5 -1 72 251.306 5
Lo Low (pH 4.5-6) 0.69 3.82 -49.25 3 5 1 71 253.322 5

Activity (Go SEA)

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