UCSF

ZINC31961414

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) -0.71 -1.98 -54.17 5 7 1 94 280.352 6
Hi High (pH 8-9.5) -0.71 -2.37 -13.69 4 7 0 93 279.344 6
Mid Mid (pH 6-8) -0.71 0.36 -99.34 6 7 2 95 281.36 6
Mid Mid (pH 6-8) -0.71 -1.51 -101.14 6 7 2 95 281.36 6
Lo Low (pH 4.5-6) -0.71 0.82 -172.87 7 7 3 97 282.368 6

Activity (Go SEA)

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